5-methyl-N-[(1-phenylcyclopentyl)methyl]-1-propyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 689282
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: c1(c(n(nc1)CCC)C)C(=O)NCC1(c2ccccc2)CCCC1
• Canonical SMILES: CCCn1ncc(c1C)C(=O)NCC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C20H27N3O/c1-3-13-23-16(2)18(14-22-23)19(24)21-15-20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10,14H,3,7-8,11-13,15H2,1-2H3,(H,21,24)
• InChIKey: GYIAGRKSKDCOFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(1-phenylcyclopentyl)methyl]-1-propyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-[(1-phenylcyclopentyl)methyl]-1-propylpyrazole-4-carboxamide
• Synonyms: 5-methyl-N-[(1-phenylcyclopentyl)methyl]-1-propyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.758884
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7357888
• LogD (pH = 7.4): 3.7358327
• Log P: 3.7358334
• Molar Refractivity: 108.9959 cm^3
• Polarizability: 37.097347 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.33
• LOG S: -5.27
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 6