{1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol

• ChemBase编号: 309338
• 分子式: C9H15N3O
• 平均质量: 181.2349
• 单一同位素质量: 181.12151212
• SMILES: c12c(n(nc1CO)CC)CCNC2
• Canonical SMILES: OCc1nn(c2c1CNCC2)CC
• InChI: InChI=1S/C9H15N3O/c1-2-12-9-3-4-10-5-7(9)8(6-13)11-12/h10,13H,2-6H2,1H3
• InChIKey: RRCPHOTWOUQSPU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {1-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• IUPAC传统名: {1-ethyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methanol
• 别名: (1-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol

登记号

• CAS号: 1243249-97-9
• MDL号: MFCD17078872

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.3201509
• LogD (pH = 7.4): -1.6062123
• Log P: -0.6384271
• 摩尔折射率: 62.5492 cm^3
• 极化性: 19.439909 Å^3
• 极化表面积: 50.08 Å^2