[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl){[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amine

• ChemBase编号: 377071
• 分子式: C15H23N5O
• 平均质量: 289.37602
• 单一同位素质量: 289.19026038
• SMILES: c1(c(n(nc1)C)C1CC1)CN(Cc1nc(on1)C(C)C)C
• Canonical SMILES: CN(Cc1cnn(c1C1CC1)C)Cc1noc(n1)C(C)C
• InChI: InChI=1S/C15H23N5O/c1-10(2)15-17-13(18-21-15)9-19(3)8-12-7-16-20(4)14(12)11-5-6-11/h7,10-11H,5-6,8-9H2,1-4H3
• InChIKey: UNPROYDMBDVSDW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl){[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}amine
• IUPAC传统名: [(5-cyclopropyl-1-methylpyrazol-4-yl)methyl][(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]methylamine
• 别名: 1-(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.0531127
• LogD (pH = 7.4): 2.2158775
• Log P: 2.2184026
• 摩尔折射率: 94.2287 cm^3
• 极化性: 30.820934 Å^3
• 极化表面积: 59.98 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: 5
• 质子供体: 0
• Log P: 1.72
• LOG S: -1.77
• 极化表面积: 59.98 Å^2
• 可自由旋转的化学键: 6