N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-{[2-methyl-4-(1H-pyrazol-1-yl)phenyl]methyl}cyclopropanamine

• ChemBase ID: 382868
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: c1(n(ccn1)C)CN(C1CC1)Cc1c(cc(n2nccc2)cc1)C
• Canonical SMILES: Cc1cc(ccc1CN(C1CC1)Cc1nccn1C)n1cccn1
• InChI: InChI=1S/C19H23N5/c1-15-12-18(24-10-3-8-21-24)5-4-16(15)13-23(17-6-7-17)14-19-20-9-11-22(19)2/h3-5,8-12,17H,6-7,13-14H2,1-2H3
• InChIKey: GXBNYCBWSOVMRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-{[2-methyl-4-(1H-pyrazol-1-yl)phenyl]methyl}cyclopropanamine
• IUPAC Traditional name: N-{[2-methyl-4-(pyrazol-1-yl)phenyl]methyl}-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
• Synonyms: N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[2-methyl-4-(1H-pyrazol-1-yl)benzyl]cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4373295
• LogD (pH = 7.4): 2.724328
• Log P: 2.8822925
• Molar Refractivity: 97.0059 cm^3
• Polarizability: 37.35919 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.67
• LOG S: -2.82
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 6