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

• ChemBase ID: 433825
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: c1(n(ccn1)C)CN(C1CC1)Cc1c(Cn2nccc2)cccc1
• Canonical SMILES: Cn1ccnc1CN(C1CC1)Cc1ccccc1Cn1cccn1
• InChI: InChI=1S/C19H23N5/c1-22-12-10-20-19(22)15-23(18-7-8-18)13-16-5-2-3-6-17(16)14-24-11-4-9-21-24/h2-6,9-12,18H,7-8,13-15H2,1H3
• InChIKey: OCEHTEFNQRRKAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0891087
• LogD (pH = 7.4): 2.3064663
• Log P: 2.435386
• Molar Refractivity: 107.119 cm^3
• Polarizability: 36.666656 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.04
• LOG S: -2.28
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7