N-(3-cyclopentylpropyl)-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 768547
• Molecular Formular: C20H27N3O2
• Molecular Mass: 341.44728
• Monoisotopic Mass: 341.21032712
• SMILES: c1(cc(n[nH]1)c1ccc(cc1)OC)C(=O)N(CCCC1CCCC1)C
• Canonical SMILES: COc1ccc(cc1)c1cc([nH]n1)C(=O)N(CCCC1CCCC1)C
• InChI: InChI=1S/C20H27N3O2/c1-23(13-5-8-15-6-3-4-7-15)20(24)19-14-18(21-22-19)16-9-11-17(25-2)12-10-16/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,22)
• InChIKey: UGBNDOOSJLDBGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-5-(4-methoxyphenyl)-N-methyl-2H-pyrazole-3-carboxamide
• Synonyms: N-(3-cyclopentylpropyl)-3-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.434913
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.851655
• LogD (pH = 7.4): 3.8478346
• Log P: 3.851726
• Molar Refractivity: 100.1451 cm^3
• Polarizability: 39.29256 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.15
• LOG S: -4.38
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 7