1H-pyrazole-5-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1H-pyrazole-5-carboxylate
• 化学式: C4H3N2O2-
• 分子量: 111.08
• InChiKey: KOPFEFZSAMLEHK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  异恶草酮 、 吡氟草胺 、 氟咯草酮 、 氟胺草唑 、 氟啶酮 、 1H-pyrazole-5-carboxylate 、 磺草酮 生成 苯达松
  参考文献：
  名称：

  Synergistically active herbicidal mixtures

  摘要：

  一种组合物，包括a)至少一种公式I1的磺酰脲，其中基团R1到R5和指数n如规范中所定义，或磺酰脲的环境兼容盐；和b)至少一种从b1到b41所定义的除草剂化合物，或除草剂化合物的环境兼容盐，且展现出协同的除草效果。

  公开号：

  US20020198106A1

文献信息

• Compounds useful in therapy
  申请人：Bradley Anthony Paul

  公开号：US20060241125A1

  公开（公告）日：2006-10-26

  Compounds of formula (I), or pharmaceutically acceptable derivatives thereof, wherein: R 1 represents H, C 1-6 -alkyl, C 1-6 alkyloxy, C 3-8 cycloalkyl, or halo; R 2 represents H, C 1-6 alkyl (optionally substituted by R 3 ), phenyl (optionally substituted by CN), or Het; R 3 represents OH, CN, Het, —R 4 —C 1-6 alkyl, or CONR 5 R 6 ; R 4 represents —CO 2 —, or —O—; R 5 and R 6 independently represent H, C 1-6 alkyl (optionally substituted by OR 7 ) or C 3-8 cycloalkyl; R 7 represents H or C 1-6 alkyl; Het represents a five or six membered aromatic heterocyclic group containing (i) from one to four nitrogen heteroatom(s) or (ii) one or two nitrogen heteroatom(s) and one oxygen or one sulphur heteroatom or (iii) one or two oxygen or sulphur heteroatom(s), said heterocyclic group being optionally substituted by one or more groups selected from CN and C 1-6 alkyl; R 8 represents C 1-6 alkyl, C 1-6 alkyloxy, C 3-8 cycloalkyl, or halo; R 9 and R 10 independently represent H, C 1-6 alkyl, C 1-6 alkyloxy, CN, CF 3 or halo; may be useful for treating endometriosis, uterine fibroids (leiomyomata), menorrhagia, adenomyosis, primary and secondary dysmenorrhoea (including symptoms of dyspareunia, dyschexia and chronic pelvic pain), or chronic pelvic pain syndrome.

  化合物公式（I）或其药学上可接受的衍生物，其中： R1代表H，C1-6烷基，C1-6烷氧基，C3-8环烷基或卤素； R2代表H，C1-6烷基（可选地被R3取代），苯基（可选地被CN取代）或Het； R3代表OH，CN，Het，-R4-C1-6烷基或CONR5R6； R4代表-CO2-或-O-； R5和R6独立地表示H，C1-6烷基（可选地被OR7取代）或C3-8环烷基； R7代表H或C1-6烷基； Het表示一个含有（i）一个到四个氮杂原子或（ii）一个或两个氮杂原子和一个氧杂原子或一个硫杂原子或（iii）一个或两个氧杂原子或硫杂原子的五元或六元芳香杂环基，该杂环基可以被一个或多个从CN和C1-6烷基中选择的基团取代； R8代表C1-6烷基，C1-6烷氧基，C3-8环烷基或卤素； R9和R10独立地表示H，C1-6烷基，C1-6烷氧基，CN，CF3或卤素； 可能用于治疗子宫内膜异位症，子宫肌瘤（平滑肌瘤），月经过多，子宫内膜异位，原发性和继发性痛经（包括性交疼痛，排便疼痛和慢性盆腔疼痛症状）或慢性盆腔疼痛综合征。
• Herbicidal mixtures having a synergistic effect
  申请人：BASF Aktiengesellschaft

  公开号：US06054410A1

  公开（公告）日：2000-04-25

  A composition comprising at least one sulfonylurea of the formula I ##STR1## wherein R.sup.1 is substituted alkyl; halogen; a group ER.sup.6 (E=O, S or NR.sup.7); COOR.sup.8 ; NO.sub.2 ; S(O).sub.o R.sup.9 ; SO.sub.2 NR.sup.10 R.sup.11 ; or CONR.sup.10 R.sup.11 ; R.sup.2 is hydrogen, alkyl, alkenyl, alkynyl, halogen, alkoxy, haloalkoxy, haloalkyl, alkylsulfonyl, nitro, cyano or alkylthio; R.sup.3 is F, CF.sub.3, CF.sub.2 Cl, CF.sub.2 H, OCF.sub.3, OCF.sub.2 Cl, or, if R.sup.1 is CO.sub.2 CH.sub.3 and R.sup.2 is simultaneously fluorine, R.sup.3 is Cl, or, if R.sup.1 is CH.sub.2 CF.sub.3 or CF.sub.2 CF.sub.3, R.sup.3 is methyl, or, if R.sup.4 is OCF.sub.3 or OCF.sub.2 Cl, R.sup.3 is OCF.sub.2 H or OCF.sub.2 Br; R.sup.4 is alkoxy, alkyl, alkylthio, alkylamino, dialkylamino, halogen, haloalkyl or haloalkoxy; and R.sup.5 is hydrogen, alkoxy or alkyl; or an enviromentally compatible salt of I, and an aryloxyalkanoic acid selected from the group consisting of 2,4-D, 2,4-DB, clomeprop, dichlorprop, dichlorprop-P, dichlorprop-P (2,4-DP-P), fenoprop (2,4,5-TP), fluoroxypyr, MCPA, MCPB, mecoprop, mecoprop-P, napropamide, napropanilide, triclopyr, and an enviromentally compatible salt thereof exhibits a synergistic herbicidal effect.

  一种组合物，包括至少一种化学式I的磺酰脲：其中R.sup.1是取代烷基、卤素、ER.sup.6（E=O、S或NR.sup.7）基团、COOR.sup.8、NO.sub.2、S（O）.sub.oR.sup.9、SO.sub.2NR.sup.10R.sup.11或CONR.sup.10R.sup.11；R.sup.2是氢、烷基、烯基、炔基、卤素、烷氧基、卤代烷氧基、卤代烷基、烷基磺酰基、硝基、氰基或烷基硫基；R.sup.3是F、CF.sub.3、CF.sub.2Cl、CF.sub.2H、OCF.sub.3、OCF.sub.2Cl，或者如果R.sup.1是CO.sub.2CH.sub.3且R.sup.2同时为氟，则R.sup.3为Cl；或者如果R.sup.1是CH.sub.2CF.sub.3或CF.sub.2CF.sub.3，则R.sup.3为甲基；或者如果R.sup.4为OCF.sub.3或OCF.sub.2Cl，则R.sup.3为OCF.sub.2H或OCF.sub.2Br；R.sup.4是烷氧基、烷基、烷基硫基、烷基氨基、二烷基氨基、卤素、卤代烷基或卤代烷氧基；R.sup.5是氢、烷氧基或烷基；或者化学式I的环境兼容盐，以及选自2,4-D、2,4-DB、clomeprop、dichlorprop、dichlorprop-P、dichlorprop-P（2,4-DP-P）、fenoprop（2,4,5-TP）、fluoroxypyr、MCPA、MCPB、mecoprop、mecoprop-P、napropamide、napropanilide、triclopyr和其环境兼容盐中的芳基氧基脂肪酸，表现出协同除草效应。
• PRODUCTION OF A 5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITROBENZOIC ACID OR 7-CHLORO-3-METHYLLQUINOLINE-8-CARBOXYLIC ACID-TOLERANT PLANT BY EXPRESSING AN EXOGENOUS 5-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-2-NITROBENZOIC ACID OR 7-CHLORO-3-METHYLLQUINOLINE-8-CARBOXYLIC ACID-BINDING ANTIBODY IN THE PLANT
  申请人：BASF Aktiengesellschaft

  公开号：US06472587B1

  公开（公告）日：2002-10-29

  Process for production of herbicide-tolerant plants by expressing an exogenous herbicide-binding polypeptide in plants or plant organs. The invention furthermore relates to the use of the corresponding nucleic acids which encode a polypeptide, an antibody or parts of an antibody with herbicide-binding properties in transgenic plants, and the thus transformed plant itself.

  通过在植物或植物器官中表达外源除草剂结合多肽来生产除草剂耐受植物的过程。本发明还涉及使用编码具有除草剂结合性能的多肽、抗体或抗体部分的相应核酸在转基因植物中，以及转化后的植物本身。
• Compounds Useful in Therapy
  申请人：Bradley Paul Anthony

  公开号：US20090099209A1

  公开（公告）日：2009-04-16

  Compounds of formula (I), or pharmaceutically acceptable derivatives thereof, wherein: R 1 represents H, C 1-6 alkyl, C 1-6 alkyloxy, C 3-8 cycloalkyl, or halo; R 2 represents H, C 1-6 alkyl (optionally substituted by R 3 ), phenyl (optionally substituted by CN), or Het; R 3 represents OH, CN, Het, —R 4 —C 1-6 alkyl, or CONR 5 R 6 ; R 4 represents —CO 2 —, or —O—; R 5 and R 6 independently represent H, C 1-6 alkyl (optionally substituted by OR 7 ) or C 3-8 cycloalkyl; R 7 represents H or C 1-6 alkyl; Het represents a five or six membered aromatic heterocyclic group containing (i) from one to four nitrogen heteroatom(s) or (ii) one or two nitrogen heteroatom(s) and one oxygen or one sulphur heteroatom or (iii) one or two oxygen or sulphur heteroatom(s), said heterocyclic group being optionally substituted by one or more groups selected from CN and C 1-6 alkyl; R 8 represents C 1-6 alkyl, C 1-6 alkyloxy, C 3-8 cycloalkyl, or halo; and R 9 and R 10 independently represent H, C 1-6 alkyl, C 1-6 alkyloxy, CN, CF 3 or halo; may be useful for treating endometriosis, uterine fibroids (leiomyomata), menorrhagia, adenomyosis, primary and secondary dysmenorrhoea (including symptoms of dyspareunia, dyschexia and chronic pelvic pain), or chronic pelvic pain syndrome.

  式(I)的化合物或其药学上可接受的衍生物，其中： R1代表氢、C1-6烷基、C1-6烷氧基、C3-8环烷基或卤素； R2代表氢、C1-6烷基（可选地被R3取代）、苯基（可选地被CN取代）或Het； R3代表OH、CN、Het、—R4—C1-6烷基或CONR5R6； R4代表—CO2—或—O—； R5和R6独立地代表氢、C1-6烷基（可选地被OR7取代）或C3-8环烷基； R7代表氢或C1-6烷基； Het代表一个含有（i）从一个到四个氮杂原子或（ii）一个或两个氮杂原子和一个氧或硫杂原子或（iii）一个或两个氧或硫杂原子的五元或六元芳香杂环基，该杂环基可选地被一个或多个从CN和C1-6烷基中选择的基团取代； R8代表C1-6烷基、C1-6烷氧基、C3-8环烷基或卤素； R9和R10独立地代表氢、C1-6烷基、C1-6烷氧基、CN、CF3或卤素； 这些化合物可能有助于治疗子宫内膜异位症、子宫肌瘤（平滑肌瘤）、月经过多、子宫内膜腺肌症、原发性和继发性痛经（包括性交疼痛、排便疼痛和慢性盆腔疼痛的症状）或慢性盆腔疼痛综合征。
• Synergistically active herbicidal mixtures
  申请人：——

  公开号：US20020198106A1

  公开（公告）日：2002-12-26

  A composition which comprises a) at least one sulfonylurea of the formula I 1 wherein the radicals R 1 to R 5 and the index n are as defined in the specification, or an environmentally compatible salt of the sulfonylurea, and b) at least one herbicidal compound selected from groups b 1 to b 41 as defined in the specification, or an environmentally compatible salt of the herbicidal compound, and which exhibits a synergistic herbicidal effect.

  一种组合物，包括a)至少一种公式I1的磺酰脲，其中基团R1到R5和指数n如规范中所定义，或磺酰脲的环境兼容盐；和b)至少一种从b1到b41所定义的除草剂化合物，或除草剂化合物的环境兼容盐，且展现出协同的除草效果。