[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl][(1,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamine

• ChemBase编号: 762791
• 分子式: C15H23N5
• 平均质量: 273.37662
• 单一同位素质量: 273.19534576
• SMILES: c1(c(n(nc1)C)C1CC1)CN(Cc1c(n(nc1)C)C)C
• Canonical SMILES: CN(Cc1cnn(c1C1CC1)C)Cc1cnn(c1C)C
• InChI: InChI=1S/C15H23N5/c1-11-13(7-16-19(11)3)9-18(2)10-14-8-17-20(4)15(14)12-5-6-12/h7-8,12H,5-6,9-10H2,1-4H3
• InChIKey: CCWLLWGVXVCBPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl][(1,5-dimethyl-1H-pyrazol-4-yl)methyl]methylamine
• IUPAC传统名: [(5-cyclopropyl-1-methylpyrazol-4-yl)methyl][(1,5-dimethylpyrazol-4-yl)methyl]methylamine
• 别名: 1-(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.50470114
• LogD (pH = 7.4): 1.0527073
• Log P: 1.3177278
• 摩尔折射率: 104.5129 cm^3
• 极化性: 30.581713 Å^3
• 极化表面积: 38.88 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.26
• LOG S: -1.26
• 极化表面积: 38.88 Å^2
• 可自由旋转的化学键: 5