N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrrol-1-yl)propanamide

• ChemBase ID: 529948
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: C(=O)(N(C1CC1)Cc1cn(nc1)C)C(n1cccc1)C
• Canonical SMILES: O=C(N(C1CC1)Cc1cnn(c1)C)C(n1cccc1)C
• InChI: InChI=1S/C15H20N4O/c1-12(18-7-3-4-8-18)15(20)19(14-5-6-14)11-13-9-16-17(2)10-13/h3-4,7-10,12,14H,5-6,11H2,1-2H3
• InChIKey: DLDUAOZAEORYJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrrol-1-yl)propanamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(pyrrol-1-yl)propanamide
• Synonyms: N-cyclopropyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrrol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5817804
• LogD (pH = 7.4): 1.5818597
• Log P: 1.5818608
• Molar Refractivity: 88.6348 cm^3
• Polarizability: 29.566452 Å^3
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 0.69
• LOG S: -1.78
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 5