1-(3-氯吡啶-2-基)-3-(三氟甲基)-1H-吡唑-5-羧酸 | 438450-39-6
中文名称
1-(3-氯吡啶-2-基)-3-(三氟甲基)-1H-吡唑-5-羧酸
中文别名
——
英文名称
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
英文别名
2-(3-chloro-2-pyridyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid；1-(3-Chloropyridin-2-YL)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid；2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid
CAS
438450-39-6
化学式
C10H5ClF3N3O2
mdl
——
分子量
291.617
InChiKey
CCXJCKFHRYPKEP-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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熔点：178-179 °C
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沸点：419.8±45.0 °C(Predicted)
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密度：1.66±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：2.6
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重原子数：19
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可旋转键数：2
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环数：2.0
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sp3杂化的碳原子比例：0.1
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拓扑面积：68
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氢给体数：1
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氢受体数：7
安全信息
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海关编码：2933990090
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危险性防范说明：P261,P305+P351+P338
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危险性描述：H302,H315,H319,H335
SDS
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 1-(3-chloro-2-pyridyl)-3-trifluoromethyl-1H-pyrazol 438450-38-5 C9H5ClF3N3 247.607 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 1392234-74-0 C10H6ClF3N4O 290.632 —— 1-(3-chloro-2-pyridinyl)-3-trifluoromethyl-1H-pyrazole-5-carbonyl chloride 930785-94-7 C10H4Cl2F3N3O 310.062 —— 1-(3-chloropyridin-2-yl)-N-(2-formyl-6-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 1417565-47-9 C18H12ClF3N4O2 408.767 —— 2-(3-chloropyridin-2-yl)-N-(2,4-dicyano-6-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1417565-66-2 C19H10ClF3N6O 430.776 —— N-(4-chloro-2-formyl-6-methylphenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 1417565-45-7 C18H11Cl2F3N4O2 443.212 —— N-(4-bromo-2-formyl-6-methylphenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide 1417565-46-8 C18H11BrClF3N4O2 487.663 —— 1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]-phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide —— C21H19ClF3N5O2 465.862 —— N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide —— C20H14ClF3N6O2 462.818 —— 2-(3-chloropyridin-2-yl)-N-[[2-methyl-6-(propylcarbamoyl)phenyl]carbamoyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-85-3 C22H20ClF3N6O3 508.887 —— N-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide —— C19H14Cl2F3N5O2 472.254 —— N'-(2-([2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carbonyl]-amino)-pyridine-3-carbonyl)-hydrazinecarboxylic acid methyl ester 1073182-50-9 C18H13ClF3N7O4 483.794 —— 2-(3-chloropyridin-2-yl)-N-[[2-(cyclopropylcarbamoyl)-6-methylphenyl]carbamoyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-83-1 C22H18ClF3N6O3 506.872 —— N-[[4-chloro-2-(propylcarbamoyl)phenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-82-0 C21H17Cl2F3N6O3 529.306 —— N-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-75-1 C20H15Cl2F3N6O3 515.279 —— N-[4-chloro-2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide —— C21H18Cl2F3N5O2 500.307 —— N-[[4-chloro-2-(cyclopropylcarbamoyl)phenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-84-2 C21H15Cl2F3N6O3 527.29 —— N-[[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamothioyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1352547-75-1 C20H15Cl2F3N6O2S 531.345 —— N-[2-chloro-6-[[(1-methylethyl)amino]carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide —— C20H16Cl2F3N5O2 486.281 —— 2-(3-chloro-2-pyridyl)-N-[2-methyl-4-chloro-6-[(diethyl-λ4-sulfanylidene)carbamoyl]phenyl]-5-(trifluoromethyl)-2H-pyrazole-3-carboxamide 1422677-87-9 C22H20Cl2F3N5O2S 546.4 —— 2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-(2-hydroxy-propylcarbamoyl)-6-methyl-phenyl]-amide —— C21H18Cl2F3N5O3 516.307 —— N-[[4-chloro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-80-8 C22H19Cl2F3N6O3 543.332 —— N-[[2-(benzylcarbamoyl)-4-bromo-6-methylphenyl]carbamothioyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1352547-84-2 C26H19BrClF3N6O2S 651.894 —— N-[[2-(butylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-77-3 C23H21Cl2F3N6O3 557.359 —— 2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-methyl-6-(2-methylsulfanyl-propylcarbamoyl)-phenyl]-amide 891195-40-7 C22H20Cl2F3N5O2S 546.4 —— N-[[4-chloro-2-(ethylcarbamoyl)-6-methylphenyl]carbamothioyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1352547-76-2 C21H17Cl2F3N6O2S 545.372 —— N-[[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-78-4 C23H21Cl2F3N6O3 557.359 —— N-[[4-bromo-2-(cyclopropylcarbamoyl)-6-methylphenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-81-9 C22H17BrClF3N6O3 585.768 —— N-[[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-76-2 C22H17Cl2F3N6O3 541.317 —— 2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid [4-chloro-2-(2-methanesulfinyl-propylcarbamoyl)-6-methyl-phenyl]-amide 891195-39-4 C22H20Cl2F3N5O3S 562.4 —— N-[[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]carbamothioyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1352547-78-4 C22H17Cl2F3N6O2S 557.383 —— 2-(3-chloro-2-pyridyl)-N-[2,4-dichloro-6-[(bis-2-propyl-λ4-sulfanylidene)carbamoyl]phenyl]-5-(trifluoromethyl)-2H-pyrazole-3-carboxamide 1422677-86-8 C23H21Cl3F3N5O2S 594.872 —— N-[[4-chloro-2-(cyclohexylcarbamoyl)-6-methylphenyl]carbamoyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1392234-79-5 C25H23Cl2F3N6O3 583.397 —— N'-(2,6-dichloro-3-([2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazole-3-carbonyl]-amino)-pyridine-4-carbonyl)-hydrazinecarboxylic acid methyl ester 1073182-22-5 C18H11Cl3F3N7O4 552.684 —— N-[[4-chloro-2-(cyclohexylcarbamoyl)-6-methylphenyl]carbamothioyl]-2-(3-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1352547-81-9 C25H23Cl2F3N6O2S 599.464 —— 2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-4H-3,1-benzoxazin-4-one 500011-82-5 C18H10ClF3N4O2 406.751 —— 2-[1-(3-chloro-2-pyridinyl)-3-trifluoromethyl-1H-pyrazole-5-yl]-6,8-dimethyl-4H-3,1-benzoxazine-4-one 934405-37-5 C19H12ClF3N4O2 420.778 —— 6-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-4H-3,1-benzoxazin-4-one 438450-40-9 C18H9Cl2F3N4O2 441.196 —— 2-[2-(3-chloro-pyridin-2-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-3-oxa-1,5-diaza-phenanthren-4-one 946840-88-6 C20H9ClF3N5O2 443.772 —— 8-chloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-3,1-benzoxazin-4-one 438450-42-1 C17H7Cl2F3N4O2 427.169 —— 6,8-dichloro-2-[2-(3-chloropyridin-2-yl)-5-trifluoromethyl-