1-<5-Nicotinoylamino-3-methyl-pyrazolyl-(1)>-phthalazin | 98252-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-<5-Nicotinoylamino-3-methyl-pyrazolyl-(1)>-phthalazin
• 英文别名: N-(5-methyl-2-phthalazin-1-yl-2H-pyrazol-3-yl)-nicotinamide；N-(5-methyl-2-phthalazin-1-ylpyrazol-3-yl)pyridine-3-carboxamide
• CAS: 98252-45-0
• 化学式: C₁₈H₁₄N₆O
• 分子量: 330.349
• InChiKey: RXUSAOKHYKHPAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  85.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• (Hetero)Cyclycarboxamides for Controlling Pathogenic Fungi
  申请人：Gewehr Markus

  公开号：US20070275981A1

  公开（公告）日：2007-11-29

  The invention relates to the use of (hetero)cyclylcarboxamides of general formula (I) and to the agriculturally useful salts thereof for controlling plant pathogenic fungi, the variables in formula (I) having the following designations: A represents phenyl or an at least monosaturated five-membered or six-membered heterocycle with 1, 2 or 3 heteroatoms as ring members selected from N, O, S, S(═O) and S(═O) 2 , where phenyl and the at least monosaturated five-membered or six-membered heterocycle can be unsubstituted or substituted according to the description; Y represents oxygen or sulphur; R 1 represents H, OH, alkyl, cycloalkyl, alkoxy, halogenalkyl, halogencycloalkyl or halogenalkoxy; R 2 and R 3 represent H, halogen, nitro, CN, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; R 4 represents halogen, nitro, CN, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; R 5 represents hydrogen, halogen, nitro, CN, OH, alkyl, cycloalkyl, alkenyl, alkinyl, alkoxy, alkenyloxy, alkinyloxy, alkoxyalkoxy, halogenalkyl, halogencycloalkyl, halogenalkenyl, halogenalkinyl or halogenalkoxy; alklthio, halogenalkylthio, alkylsulfinyl, halogenalkylsulfinyl, alkylsulfonyl, halogenalkylsulfonyl, —(CR 6 )═NOR 7 , —C(O)R 8 , NR 9 R 10 , —C(O)NR 9 R 10 , —C(S)NR 9 R 10 , phenyl or phenylalkyl, the phenyl ring in the last two radicals optionally comprising between 1 and 4 of the radicals cited for R 4 ; R 6 , R 7 , R 8 , R 9 and R 10 have the designations cited in the description; the two radicals R 4 and R 5 bound to adjacent carbon atoms can also represent an alkylene chain with 3 to 5 members, wherein 1 or 2 non-adjacent CH 2 groups can also be replaced by O or S, and part or all of the hydrogens can be replaced by halogen; Ar represents phenyl, naphtyl or a five-membered or six-membered heteroaromatic radical with 1, 2 or 3 heteroatoms as ring members selected from N, O, and S, that can optionally also carry a fused benzene ring; and n represents 0, 1, 2, 3, or 4. The invention also relates to crop protection agents containing said compounds.

  该发明涉及使用一般式（I）的（杂）环戊酰胺及其在农业上有用的盐来控制植物病原真菌，式（I）中的变量具有以下符号：A代表苯或至少含有1、2或3个杂原子（N、O、S、S(═O)和S(═O)2）的五元环或六元环，其中苯和至少含有1个杂原子的五元环或六元环可以按照说明未取代或取代；Y代表氧或硫；R1代表H、OH、烷基、环烷基、烷氧基、卤代烷基、卤代环烷基或卤代烷氧基；R2和R3代表H、卤素、硝基、CN、烷基、环烷基、烯基、炔基、烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；R4代表卤素、硝基、CN、烷基、环烷基、烯基、炔基、烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；R5代表氢、卤素、硝基、CN、OH、烷基、环烷基、烯基、炔基、烷氧基、烯基氧基、炔基氧基、烷氧基烷氧基、卤代烷基、卤代环烷基、卤代烯基、卤代炔基或卤代烷氧基；alklthio、卤代烷硫基、烷基磺酰基、卤代烷磺酰基、烷基磺酰基、卤代烷磺酰基、—(CR6)═NOR7、—C(O)R8、NR9R10、—C(O)NR9R10、—C(S)NR9R10、苯或苯基烷基，最后两个基团中的苯环可以选择包含1到4个R4中列出的基团；R6、R7、R8、R9和R10具有说明中列出的符号；相邻碳原子上结合的两个基团R4和R5也可以代表具有3到5个成员的烷基链，其中1或2个非相邻的CH2基团也可以被O或S替换，部分或全部氢原子可以被卤素取代；Ar代表苯、萘或具有1、2或3个杂原子（N、O和S）的五元环或六元环杂芳基，也可以携带一个融合的苯环；n代表0、1、2、3或4。该发明还涉及含有上述化合物的作物保护剂。