3-(2,2-dichloro-1-methylcyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile | 508228-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2,2-dichloro-1-methylcyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrile
• 英文别名: 3-(2,2-Dichloro-1-methylcyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
• CAS: 508228-94-2
• 化学式: C₁₅H₈Cl₄F₃N₃
• 分子量: 429.056
• InChiKey: FCNMBLOMICAJDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 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。
• Insecticidal and acaricidal 3-substituted pyrazoles
  申请人：——

  公开号：US20040260097A1

  公开（公告）日：2004-12-23

  Compounds of formula (I), wherein the variables and the index have the following meanings: R 1 H, halogen, alkyl, haloalkyl, alkenyl, haloalkenyl, alkylthio, alkoxyalkyl, alkylthioalkyl, or optionally substituted phenyl; R 2 H, halogen, alkyl, haloalkyl, alkenyl, haloalkenyl or optionally substituted phenyl; A H, OH, CN, NO 2 , halogen, SCN, alkoxy, haloalkoxy, alkenyloxy, alkylthio, haloalkylthio, alkylsulfinyl, alkylsulfonyl, aminothiocarbonyl, hydroxycarbonyl, alkoxycarbonyl, or aminocarbonyl; B H, OH, NH 2 , CN, NO 2 , halogen, optionally substituted alkyl, optionally substituted alkoxy, optionally substituted alkenyl, alkenyloxy, alkylthio, haloalkylthio, alkoxythiocarbonylthio, alkoxycarbonylalkoxy, alkoxycarbonylalkylthio, alkylsulfinyl, alkylsulfonyl, aminothiocarbonyl, NR 3 R 4 , N═CHOR 5 , or N═CHNR 5 ; R 3 , R 4 H, alkyl, alkoxycarbonylalkyl, [(alkoxycarbonyl)(alkenyl)]alkyl, alkoxycarbonylalkenyl, alkylcarbonyl, cycloalkylcarbonyl, alkylaminocarbonyl, diaminocarbonyl, alkoxycarbonyl, alkoxyaminosulfonyl, or di(alkoxy)aminosulfonyl; R 5 alkyl, haloalkyl, or phenylalkyl; Q H, NO 2 , halogen, haloalkyl, alkylamino, dialkylamino, alkoxy, haloalkoxy, or alkenyloxy; X H, halogen, haloalkyl, alkoxy or haloalkoxy; Y H, halogen, haloalkyl, alkoxy or haloalkoxy; Z H, halogen, haloalkyl, alkoxy or haloalkoxy; M N or CR 6 ; R 6 H, NO 2 , halogen or haloalkyl; n 0, 1, 2, 3, or 4, with the proviso that, when R 1 is hydrogen, n is not zero, processes for the preparation of compounds of formula (I), compositions containing them and their use for the control of insect and acarid pests and for the protection of plants from those pests as well as their use for treating, controlling, preventing and protecting warm-blooded animals and humans against infestation and infection by arachnids and arthropod endo-and ectoparasites. 1

  化学式为（I）的化合物，其中变量和指数具有以下含义：R1H，卤素，烷基，卤代烷基，烯基，卤代烯基，烷基硫，烷氧基烷基，烷基硫基烷基，或可选取代苯基; R2H，卤素，烷基，卤代烷基，烯基，卤代烯基或可选取代苯基; A H，OH，CN，NO2，卤素，SCN，烷氧基，卤代烷氧基，烯氧基，烷基硫，卤代烷基硫，烷基亚磺酰基，烷基磺酰基，氨基硫酰基，羟基羧酸基，烷氧羧酸酯基，或氨基羧酸酯基; B H，OH，NH2，CN， ，卤素，可选取代烷基，可选取代烷氧基，可选取代烯基，烯氧基，烷基硫，卤代烷基硫，烷氧基硫代氨基酸基，烷氧羧酸酯基，烷氧基烷基硫基，烷基亚磺酰基，烷基磺酰基，氨基硫酰基，NR3R4，N═CHOR5，或N═CHNR5; R3，R4H，烷基，烷氧羧酸酯基，[（烷氧羧酸酯）（烯基）]烷基，烷氧羧酸烯基，烷基羧酸，环烷基羧酸，烷基氨基羧酸，双氨基羧酸，烷氧羧酸酯基，烷氧氨基磺酰基，或双（烷氧）氨基磺酰基; R5烷基，卤代烷基或苯基烷基; Q H， ，卤素，卤代烷基，烷基氨基，二烷基氨基，烷氧基，卤代烷氧基或烯氧基; X H，卤素，卤代烷基，烷氧基或卤代烷氧基; Y H，卤素，卤代烷基，烷氧基或卤代烷氧基; Z H，卤素，卤代烷基，烷氧基或卤代烷氧基; M N或CR6; R6H， ，卤素或卤代烷基; n 0、1、2、3或4，条件是当R1为氢时，n不为零，制备化合物（I）的方法，含有它们的组合物以及它们用于控制昆虫和螨虫害和保护植物免受这些害虫的侵害，以及它们用于治疗、控制、预防和保护温血动物和人类免受蜘蛛和节肢动物内外寄生虫的侵害和感染。
• 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。