N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 653502
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: N1(C(=O)C(CC1)C)CC(=O)N(CCc1cn(nc1)C)C
• Canonical SMILES: O=C(N(CCc1cnn(c1)C)C)CN1CCC(C1=O)C
• InChI: InChI=1S/C14H22N4O2/c1-11-4-7-18(14(11)20)10-13(19)16(2)6-5-12-8-15-17(3)9-12/h8-9,11H,4-7,10H2,1-3H3
• InChIKey: ORYFDXYVHCNWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
• Synonyms: N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.59
• LOG S: -2.04
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 0
• LogD (pH = 5.5): -0.25366172
• LogD (pH = 7.4): -0.25356102
• Log P: -0.25355974
• Molar Refractivity: 87.7003 cm^3
• Polarizability: 29.029835 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 19.509502
• H Acceptors: 3