1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-ylmethanol

• ChemBase编号: 309346
• 分子式: C7H11N3O
• 平均质量: 153.18174
• 单一同位素质量: 153.09021199
• SMILES: c12c(n[nH]c1CCNC2)CO
• Canonical SMILES: OCc1n[nH]c2c1CNCC2
• InChI: InChI=1S/C7H11N3O/c11-4-7-5-3-8-2-1-6(5)9-10-7/h8,11H,1-4H2,(H,9,10)
• InChIKey: NIUGRDGIDVRQML-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-ylmethanol
• IUPAC传统名: 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-ylmethanol
• 别名: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylmethanol

登记号

• MDL号: MFCD20502831

理论计算性质

• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -3.8110752
• LogD (pH = 7.4): -2.0995858
• Log P: -1.118911
• 摩尔折射率: 42.5846 cm^3
• 极化性: 15.847601 Å^3
• 极化表面积: 60.94 Å^2