3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride

• ChemBase编号: 310285
• 分子式: C9H15Cl2N3
• 平均质量: 236.1415
• 单一同位素质量: 235.06430286
• SMILES: c12c(n[nH]c1CCNC2)C1CC1.Cl.Cl
• Canonical SMILES: N1CCc2c(C1)c(n[nH]2)C1CC1.Cl.Cl
• InChI: InChI=1S/C9H13N3.2ClH/c1-2-6(1)9-7-5-10-4-3-8(7)11-12-9;;/h6,10H,1-5H2,(H,11,12);2*1H
• InChIKey: RUCUYOLWSVFQCB-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.4358304
• LogD (pH = 7.4): -0.8274038
• Log P: 0.4781332
• 摩尔折射率: 48.2816 cm^3
• 极化性: 18.087711 Å^3
• 极化表面积: 40.71 Å^2