N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 735832
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: N(C(=O)c1cc(n2nccc2)ccc1)(Cc1n(ccn1)C)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccn1C)c1cccc(c1)n1cccn1
• InChI: InChI=1S/C18H19N5O/c1-21-11-9-19-17(21)13-22(15-6-7-15)18(24)14-4-2-5-16(12-14)23-10-3-8-20-23/h2-5,8-12,15H,6-7,13H2,1H3
• InChIKey: OCWMAYFLHZIBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-3-(pyrazol-1-yl)benzamide
• Synonyms: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-(1H-pyrazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.176975
• LogD (pH = 7.4): 1.7078161
• Log P: 1.7254668
• Molar Refractivity: 92.2938 cm^3
• Polarizability: 35.040585 Å^3
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.49
• LOG S: -1.96
• Polar Surface Area: 55.95 Å^2
• Rotatable Bonds: 5