HCID57304451

2-(3-(2,6-Difluorophenyl)pyrazol-1-yl)-3-(1-methyl-3,5-dichloropyrazol-4-yl)-3-hydroxyacrylonitrile

3-(3,5-dichloro-1-methylpyrazol-4-yl)-2-[3-(2,6-difluorophenyl)pyrazol-1-yl]-3-hydroxyprop-2-enenitrile

C16H9Cl2F2N5O396.2 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1nc(Cl)c(C(O)=C(C#N)n2ccc(-c3c(F)cccc3F)n2)c1Cl
InChIKey: JVCSLDCNOWACAJ-UHFFFAOYSA-N
分子式: C16H9Cl2F2N5O
平均分子量: 396.2 g/mol
单同位素质量: 395.0152216

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 79.7 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 605

ALIASES

名称与别名

共 5 条

2-(3-(2,6-difluorophenyl)pyrazol-1-yl)-3-(1-methyl-3,5-dichloropyrazol-4-yl)-3-hydroxyacrylonitrile2-{3-(2,6-difluorophenyl)pyrazol-1-yl}-3-(1-methyl-3,5-dichloropyrazol-4-yl)-3-hydroxyacrylonitrileSCHEMBL4328881JVCSLDCNOWACAJ-UHFFFAOYSA-N2-{3-(2,6-difluorophenyl)pyrazol-1-yl}-3-(l-methyl-3,5-dichloropyrazol-4-yl)-3-hydroxyacrylonitrile

REACTIONS