N-(2-hydroxyethyl)-N-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

• ChemBase编号: 49069
• 分子式: C10H17ClN4O2
• 平均质量: 260.72058
• 单一同位素质量: 260.10400348
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)N(CCO)C.Cl
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CNCC2)CCO.Cl
• InChI: InChI=1S/C10H16N4O2.ClH/c1-14(4-5-15)10(16)9-7-6-11-3-2-8(7)12-13-9;/h11,15H,2-6H2,1H3,(H,12,13);1H
• InChIKey: RASRXDGJZGGEIF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-hydroxyethyl)-N-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC传统名: N-(2-hydroxyethyl)-N-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• 别名: N-(2-Hydroxyethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

登记号

• MDL号: MFCD13562292
• PubChem SID: 162053832
• PubChem CID: 56831966

理论计算性质

• Acid pKa: 12.848772
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -4.1439266
• LogD (pH = 7.4): -2.4355953
• Log P: -1.4392924
• 摩尔折射率: 61.083 cm^3
• 极化性: 22.419823 Å^3
• 极化表面积: 81.25 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false