N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase编号: 655697
• 分子式: C24H28N4O2
• 平均质量: 404.50472
• 单一同位素质量: 404.22122616
• SMILES: c1(nn2c(c1)nc(cc2C)C)C(=O)N(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C24H28N4O2/c1-16-12-17(2)28-23(25-16)13-22(26-28)24(29)27(20-8-9-20)14-18-6-10-21(11-7-18)30-15-19-4-3-5-19/h6-7,10-13,19-20H,3-5,8-9,14-15H2,1-2H3
• InChIKey: ODFPYQQRIVPVAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC传统名: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• 别名: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.9252548
• LogD (pH = 7.4): 3.925259
• Log P: 3.925259
• 摩尔折射率: 126.8446 cm^3
• 极化性: 44.139706 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 4.58
• LOG S: -5.82
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 7