[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine

• ChemBase编号: 307993
• 分子式: C8H13N3
• 平均质量: 151.20892
• 单一同位素质量: 151.11094743
• SMILES: C1(CC1)(Cn1nccc1)CN
• Canonical SMILES: NCC1(CC1)Cn1cccn1
• InChI: InChI=1S/C8H13N3/c9-6-8(2-3-8)7-11-5-1-4-10-11/h1,4-5H,2-3,6-7,9H2
• InChIKey: KLSLGEOJPPVCBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine
• IUPAC传统名: [1-(pyrazol-1-ylmethyl)cyclopropyl]methanamine
• 别名: 1-[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine

登记号

• CAS号: 1177297-60-7
• MDL号: MFCD09971230

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.8468492
• LogD (pH = 7.4): -2.296924
• Log P: 0.17203104
• 摩尔折射率: 54.7337 cm^3
• 极化性: 17.05889 Å^3
• 极化表面积: 43.84 Å^2