N,7-dimethyl-N-[1-(pyridin-3-yl)pentyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

• ChemBase编号: 353236
• 分子式: C19H23N5O
• 平均质量: 337.41882
• 单一同位素质量: 337.19026038
• SMILES: c1(C(=O)N(C(c2cnccc2)CCCC)C)c(n2c(nc1)ccn2)C
• Canonical SMILES: CCCCC(N(C(=O)c1cnc2n(c1C)ncc2)C)c1cccnc1
• InChI: InChI=1S/C19H23N5O/c1-4-5-8-17(15-7-6-10-20-12-15)23(3)19(25)16-13-21-18-9-11-22-24(18)14(16)2/h6-7,9-13,17H,4-5,8H2,1-3H3
• InChIKey: BWWHWSLOHCFYJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,7-dimethyl-N-[1-(pyridin-3-yl)pentyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• IUPAC传统名: N,7-dimethyl-N-[1-(pyridin-3-yl)pentyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• 别名: N,7-dimethyl-N-(1-pyridin-3-ylpentyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.4169264
• LogD (pH = 7.4): 2.4846082
• Log P: 2.4855618
• 摩尔折射率: 108.3956 cm^3
• 极化性: 36.727615 Å^3
• 极化表面积: 63.39 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.9
• LOG S: -1.98
• 极化表面积: 63.39 Å^2
• 可自由旋转的化学键: 6