HCID23170490

[5-(4-chloro-phenyl)-2-methyl-2H-pyrazol-3-yl]-methanol

[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol

C11H11ClN2O222.67 g/molCAS 864426-89-1

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IDENTITY

结构与身份

标准SMILES: Cn1nc(-c2ccc(Cl)cc2)cc1CO
InChIKey: XUBCBOIQARJKPG-UHFFFAOYSA-N
分子式: C11H11ClN2O
平均分子量: 222.67 g/mol
单同位素质量: 222.0559907

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 38.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 207

ALIASES

名称与别名

共 8 条

SCHEMBL5025698[5-(4-chloro-phenyl)-2-methyl-2H-pyrazol-3-yl]-methanolXUBCBOIQARJKPG-UHFFFAOYSA-NDTXSID801227976AKOS000349315864426-89-13-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-methanol[3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-yl]methanol

REACTIONS

相关反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07265149B2

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07265149B2

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