N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide

• ChemBase ID: 622838
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: c1(c(n(nc1)C)C)CN(C(=O)C1(c2ccc(cc2)OC)CCCC1)C
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)C(=O)N(Cc1cnn(c1C)C)C
• InChI: InChI=1S/C20H27N3O2/c1-15-16(13-21-23(15)3)14-22(2)19(24)20(11-5-6-12-20)17-7-9-18(25-4)10-8-17/h7-10,13H,5-6,11-12,14H2,1-4H3
• InChIKey: YHPNZZNWZGXYQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide
• IUPAC Traditional name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide
• Synonyms: N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-methylcyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9698
• LogD (pH = 7.4): 2.9700358
• Log P: 2.970039
• Molar Refractivity: 110.5854 cm^3
• Polarizability: 37.97576 Å^3
• Polar Surface Area: 47.36 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: 2.48
• LOG S: -3.81
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 5