5-chloro-3-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile | 708213-21-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-chloro-3-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile
• 英文别名: 5-Chloro-3-cyclopropyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
• CAS: 708213-21-2
• 化学式: C₁₄H₇Cl₃F₃N₃
• 分子量: 380.584
• InChiKey: ODIRCUWVDBNBMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• 1-Aryl-4-cyano-3-cyclopropylpyrazole derivatives as ectoparasiticidal agents
  申请人：Wyeth

  公开号：EP1431291A1

  公开（公告）日：2004-06-23

  A method and composition for the prevention, amelioration or control of external parasites on animals and humans utilizing a compound of formula I. wherein Ris halogen, OR7, SOmR8, NO2, CN, C1-C6haloalkyl or an optionally substituted C1-C6alkyl group; nis 0 or an integer of 1, 2 or 3; mis 0 or an integer of 1 or 2; R1is H, halogen, NO2, NR9R10, NR11COR12, NCHNR9R10 or NCHOR13; R2, R3, R4, R5 and R6are each independently H, halogen or a C1-C4alkyl, aryl or heteroaryl group each optionally substituted; R7is H or a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group each optionally substituted; R8is a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group, each optionally substituted; R9 and R10are each independently H, C1-C4haloalkyl or a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group each optionally substituted or R9 and R10 may be taken together with the atom to which they are attached to form a 5- to 7-membered ring optionally containing 1 or 2 additional heteroatoms selected from O, N or S; R11is H, COR12 or an optionally substituted C1-C4alkyl group; R12is a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group each optionally substituted; and R13is H or a C1-C6alkyl, aryl or heteroaryl group each optionally substituted; or a stereoisomer or tautomer thereof.

  一种利用化合物I的方法和组合物，用于预防、改善或控制动物和人体表面寄生虫，其中化合物I的结构式如下：其中R是卤素、OR7、SOmR8、NO2、CN、C1-C6卤代烷基或可选择性取代的C1-C6烷基；n为0或1、2或3的整数；m为0或1或2的整数；R1为H、卤素、 、NR9R10、NR11COR12、NCHNR9R10或NCHOR13；R2、R3、R4、R5和R6分别独立地为H、卤素或可选择性取代的C1-C4烷基、芳基或杂环芳基基团；R7为H或可选择性取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团；R8为C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团，每个基团可选择性取代；R9和R10分别独立地为H、C1-C4卤代烷基或可选择性取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团，或R9和R10可与它们所附着的原子一起形成一个5-至7-成员环，其中可选择性包含1或2个额外的杂原子，所述杂原子选自O、N或S；R11为H、COR12或可选择性取代的C1-C4烷基基团；R12为C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团，每个基团可选择性取代；以及R13为H或可选择性取代的C1-C6烷基、芳基或杂环芳基基团；或其立体异构体或互变异构体。
• N-phenyl-3-cyclopropylpyrazole-4-carbonitriles as ectoparasiticidal agents
  申请人：Wyeth

  公开号：US20040122075A1

  公开（公告）日：2004-06-24

  A method and composition for the prevention, amelioration or control of external parasites on animals and humans utilizing a compound of formula I. 1 or a pharmaceutically acceptable salt thereof, wherein R is halogen, OR 7 , SO m R 8 , NO 2 , CN, C 1 -C 6 haloalkyl or an optionally substituted C 1 -C 6 alkyl group; n is 0 or an integer of 1, 2 or 3; m is 0 or an integer of 1 or 2; R 1 is H, halogen, NO 2 , NR 9 R 10 , NR 11 COR 12 , NCHNR 9 R 10 or NCHOR 13 ; R 2 , R 3 , R 4 , R 5 and R 6 are each independently H, halogen or a C 1 -C 4 alkyl, aryl or heteroaryl group each optionally substituted; R 7 is H or a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group each optionally substituted; R 8 is a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group, each optionally substituted; R 9 and R 10 are each independently H, C 1 -C 4 haloalkyl or a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group each optionally substituted or R 9 and R 10 may be taken together with the atom to which they are attached to form a 5- to 7-membered ring optionally containing 1 or 2 additional heteroatoms selected from O, N or S; R 11 is H, COR 12 or an optionally substituted C 1 -C 4 alkyl group; R 12 is a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group each optionally substituted; and R 13 is H or a C 1 -C 6 alkyl, aryl or heteroaryl group each optionally substituted; or a stereoisomer or tautomer thereof.

  一种用于预防、改善或控制动物和人类身上的外部寄生虫的方法和组合物，利用公式I.1的化合物或其药学上可接受的盐，其中： R是卤素、OR7、SOmR8、NO2、CN、C1-C6卤代烷基或可选择取代的C1-C6烷基； n为0或1、2或3的整数； m为0或1或2的整数； R1为H、卤素、 、NR9R10、NR11COR12、NCHNR9R10或NCHOR13； R2、R3、R4、R5和R6分别独立地为H、卤素或可选择取代的C1-C4烷基、芳基或杂环芳基； R7为H或可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基； R8为可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基； R9和R10各自独立地为H、C1-C4卤代烷基或可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基，或R9和R10可一起取代它们附着的原子形成一个5-至7环，可选择包含1或2个额外的杂原子，选自O、N或S； R11为H、COR12或可选择取代的C1-C4烷基； R12为可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基； R13为H或可选择取代的C1-C6烷基、芳基或杂环芳基； 或其立体异构体或互变异构体。