1-(6-氯吡啶-2-基)-5-三氟甲基-1H-吡唑-4-羧酸乙酯 | 1128268-00-7

分子结构分类

有机化合物 - 有机杂环化合物 - 吡啶及其衍生物

中文名称

1-(6-氯吡啶-2-基)-5-三氟甲基-1H-吡唑-4-羧酸乙酯

中文别名

——

英文名称

ethyl 1-(6-chloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

英文别名

Ethyl 1-(6-chloropyridin-2-yl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate；ethyl 1-(6-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

CAS

1128268-00-7

化学式

C₁₂H₉ClF₃N₃O₂

mdl

——

分子量

319.671

InChiKey

HKUSNFDWRQCFFK-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

411.9±45.0 °C(Predicted)
密度：

1.48±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

21
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

0.25
拓扑面积：

57
氢给体数：

0
氢受体数：

7

上下游信息

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)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid	1265323-81-6	C₁₀H₅ClF₃N₃O₂	291.617
——	Ethyl 1-{6-[2-(hydroxymethyl)phenyl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1128269-69-1	C₁₉H₁₆F₃N₃O₃	391.35
——	Ethyl 1-(2'-fluoro-2,3'-bipyridin-6-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1128269-51-1	C₁₇H₁₂F₄N₄O₂	380.301
——	1-[6-(3,5-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1158984-28-1	C₁₆H₈Cl₂F₃N₃O₂	402.16
——	ethyl 1-[6-(2-methoxy-5-methylphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1128268-23-4	C₂₀H₁₈F₃N₃O₃	405.376
——	ethyl 1-[6-(5-formyl-2-methoxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-29-6	C₂₀H₁₆F₃N₃O₄	419.36
——	ethyl 1-(6-(2-(4-methoxyphenethyl)phenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1128269-45-3	C₂₇H₂₄F₃N₃O₃	495.501
——	ethyl 1-{6-[5-(difluoromethyl)-2-methoxyphenyl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-30-9	C₂₀H₁₆F₅N₃O₃	441.357
——	Ethyl 1-[6-(3-formyl-2-methoxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1240969-79-2	C₂₀H₁₆F₃N₃O₄	419.36
——	ethyl 1-[2'-fluoro-5'-(trifluoromethyl)-2,3'-bipyridin-6-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1128269-63-5	C₁₈H₁₁F₇N₄O₂	448.3
——	ethyl 1-{6-[4-methyl-4'-(4-oxocyclohexyl)biphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374341-96-4	C₃₁H₂₈F₃N₃O₃	547.577
——	ethyl 1-[2'-hydroxy-5'-(trifluoromethyl)-2,3'-bipyridin-6-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-13-8	C₁₈H₁₂F₆N₄O₃	446.309
——	ethyl 1-{6-[4-methyl-4'-(piperazin-1-yl)biphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-25-2	C₂₉H₂₈F₃N₅O₂	535.569
——	ethyl 1-[6-(5-methyl-2-{[(trifluoromethyl)sulfonyl]oxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1128269-77-1	C₂₀H₁₅F₆N₃O₅S	523.413
——	ethyl 1-[6-(5-chloro-2-{[(trifluoromethyl)sulfonyl]oxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374341-97-5	C₁₉H₁₂ClF₆N₃O₅S	543.831
——	ethyl [6-(4-methyl-4'-{[(trifluoromethyl)sulfonyl]oxy}biphenyl-2-yl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374341-91-9	C₂₆H₁₉F₆N₃O₅S	599.51
——	methyl 1-[2'-hydroxy-5'-(trifluoromethyl)-2,3'-bipyridin-6-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-14-9	C₁₇H₁₀F₆N₄O₃	432.282
——	ethyl 1-{6-[5-(difluoromethyl)-2-{[(trifluoromethyl)sulfonyl]oxy}phenyl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-32-1	C₂₀H₁₃F₈N₃O₅S	559.394
——	methyl 1-{6-[4-chloro-4'-(4-oxocyclohexyl)biphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-08-1	C₂₉H₂₃ClF₃N₃O₃	553.968
——	ethyl 1-{6-[4'-(benzyloxy)-4-chloro-3'-methylbiphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374341-98-6	C₃₂H₂₅ClF₃N₃O₃	592.017
——	ethyl 1-[2'-methoxy-5'-(trifluoromethyl)-2,3'-bipyridin-6-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-11-6	C₁₉H₁₄F₆N₄O₃	460.336
——	ethyl 1-{6-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-05-8	C₂₄H₂₄BClF₃N₃O₄	521.731
——	ethyl 1-[6-(3-methyl-2-{[trifluoromethylsulfonyl]oxy}phenyl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-04-7	C₂₀H₁₅F₆N₃O₅S	523.413
——	ethyl 1-{6-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-yl}-5-(trifluoromethyl-1H-pyrazole)-4-carboxylate	1374341-95-3	C₂₅H₂₇BF₃N₃O₄	501.313
——	ethyl 1-{6-[4'-(4-methoxycyclohex-1-en-1-yl)-4-methylbiphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374341-92-0	C₃₂H₃₀F₃N₃O₃	561.604
——	1-[6-(4'-butoxy-6-methylbiphenyl-2-yl)pyridin-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374338-83-6	C₂₇H₂₄F₃N₃O₃	495.501
——	1-{6-[4'-(4,4-difluorocyclohexyl)-4-methylbiphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374338-80-3	C₂₉H₂₄F₅N₃O₂	541.52
——	methyl 1-[2'-methoxy-5'-(trifluoromethyl)-2,3'-bipyridin-6-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-12-7	C₁₈H₁₂F₆N₄O₃	446.309
——	1-{6-[4-chloro-4'-(4-oxocyclohexyl)biphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374339-17-9	C₂₈H₂₁ClF₃N₃O₃	539.941
——	1-(6-(4-chloro-4'-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)-[1,1'-biphenyl]-2-yl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374339-36-2	C₂₉H₂₃ClF₆N₄O₂	608.971
——	1-{6-[4-chloro-4'-(4-cyclopropylpiperidin-1-yl)biphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374338-84-7	C₃₀H₂₆ClF₃N₄O₂	567.01
——	1-{6-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylmethoxy)phenyl]pyridin-2-yl}-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid	1398410-29-1	C₂₇H₂₃F₃N₄O₃	508.5
——	1-{6-[4'-(4-cyclopropylpiperazin-1-yl)-4-methylbiphenyl-2-yl]pyridin-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374339-41-9	C₃₀H₂₈F₃N₅O₂	547.58
——	ethyl 1-{2'-[4-(azetidin-3-yl)-3-methylphenyl]-5'-(trifluoromethyl)-2,3'-bipyridin-6-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate	1374342-43-4	C₂₈H₂₃F₆N₅O₂	575.513
——	1-(6-{4'-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-methylbiphenyl-2-yl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374338-79-0	C₃₁H₃₁F₃N₄O₃	564.607
——	1-(6-{4'-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methylbiphenyl-2-yl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374339-43-1	C₃₁H₃₀F₃N₅O₂	561.607
——	1-(6-{4-chloro-4'-[1-(2,2,2-trifluoroethyl)-1,2,3,6-tetrahydropyridin-4-yl]biphenyl-2-yl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374342-19-4	C₂₉H₂₁ClF₆N₄O₂	606.955
——	1-{6-[2-(benzo[1,2,3]thiadiazol-5-ylmethyoxy)-5-methylphenyl]pyridin-2-yl}-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid	1398410-36-0	C₂₄H₁₆F₃N₅O₃S	511.484
——	1-(6-{4-(difluoromethyl)-4'-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]biphenyl-2-yl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid	1374339-44-2	C₂₉H₂₃F₈N₅O₂	625.521
——	1-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid	1398410-21-3	C₂₈H₂₅F₃N₄O₃	522.527