N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 495986
• Molecular Formular: C17H28N4O2
• Molecular Mass: 320.42982
• Monoisotopic Mass: 320.22122616
• SMILES: c1(c(n(nc1C)C(C)C)C)CN(C(=O)C(N1C(=O)CCC1)C)C
• Canonical SMILES: CN(C(=O)C(N1CCCC1=O)C)Cc1c(C)nn(c1C)C(C)C
• InChI: InChI=1S/C17H28N4O2/c1-11(2)21-13(4)15(12(3)18-21)10-19(6)17(23)14(5)20-9-7-8-16(20)22/h11,14H,7-10H2,1-6H3
• InChIKey: HJINPKOUXPHVQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-[(1-isopropyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5860568
• LogD (pH = 7.4): 0.5878486
• Log P: 0.5878715
• Molar Refractivity: 101.7733 cm^3
• Polarizability: 34.37902 Å^3
• Polar Surface Area: 58.44 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: 0.75
• LOG S: -2.18
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5