N-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-3-(dimethylamino)pyrrolidine-1-carboxamide

• ChemBase ID: 645053
• Molecular Formular: C16H27N5O
• Molecular Mass: 305.41848
• Monoisotopic Mass: 305.22156051
• SMILES: c1(n(nc(c1)C)C1CCCC1)NC(=O)N1CC(CC1)N(C)C
• Canonical SMILES: CN(C1CCN(C1)C(=O)Nc1cc(nn1C1CCCC1)C)C
• InChI: InChI=1S/C16H27N5O/c1-12-10-15(21(18-12)13-6-4-5-7-13)17-16(22)20-9-8-14(11-20)19(2)3/h10,13-14H,4-9,11H2,1-3H3,(H,17,22)
• InChIKey: FEUNPDQGWGGVDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-3-(dimethylamino)pyrrolidine-1-carboxamide
• IUPAC Traditional name: N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(dimethylamino)pyrrolidine-1-carboxamide
• Synonyms: N-(1-cyclopentyl-3-methyl-1H-pyrazol-5-yl)-3-(dimethylamino)pyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.200638
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8009261
• LogD (pH = 7.4): -0.12956026
• Log P: 1.2948322
• Molar Refractivity: 99.1382 cm^3
• Polarizability: 33.324802 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.13
• LOG S: -2.39
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3