HCID21897593

5-amino-1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazole-4-carbonitrile

5-amino-1-(2-fluoro-4-methylsulfonylphenyl)pyrazole-4-carbonitrile

C11H9FN4O2S280.28 g/molCAS 832714-47-3

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)c1ccc(-n2ncc(C#N)c2N)c(F)c1
InChIKey: DVWZGMMXZAAOLA-UHFFFAOYSA-N
分子式: C11H9FN4O2S
平均分子量: 280.28 g/mol
单同位素质量: 280.04302488

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 110 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 483

ALIASES

名称与别名

共 9 条

5-amino-1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile5-Amino-1-[2-fluoro-4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carbonitrileSCHEMBL1244806DVWZGMMXZAAOLA-UHFFFAOYSA-NDTXSID1011491935-amino-1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazole-4-carbonitrile832714-47-3DB-1292375-Amino-1-[2-fluoro-4-(methanesulfonyl)phenyl]-1H-pyrazole-4-carbonitrile

REACTIONS