3-bromo-1-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide

• ChemBase编号: 165146
• 分子式: C19H14BrClN6O2
• 平均质量: 473.71046
• 单一同位素质量: 472.0050134
• SMILES: c1(cc(n(n1)c1ncccc1Cl)C(=O)Nc1c(cc(cc1C)C#N)C(=O)NC)Br
• Canonical SMILES: N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br
• InChI: InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)
• InChIKey: DVBUIBGJRQBEDP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-bromo-1-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
• IUPAC传统名: 5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
• 别名: 3-Bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-1H-pyrazole-5-carboxamide; 3-Bromo-1-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-[N-methylcarbamoyl]phenyl]-1H-pyrazole-5-carboxamide; Cyazypyr; DPX-HGW 86; HGW 86; SYN 545377; Cyantraniliprole

登记号

• CAS号: 736994-63-1
• PubChem SID: 162259279
• PubChem CID: 11578610

理论计算性质

• Acid pKa: 9.725896
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 4.1198635
• LogD (pH = 7.4): 4.117945
• Log P: 4.119889
• 摩尔折射率: 115.995 cm^3
• 极化性: 41.642498 Å^3
• 极化表面积: 112.7 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - C987580

Cyantraniliprole is used as an insecticide and/or acaricide.

参考文献

• Abbott, W., et al.: J. Econ. Entomol., 18, 265 (1925)
• Ali, A., et al.: Environ. Entomol., 19, 1066 (1925)