N-(1-carbamoylcyclopentyl)-3-(1H-pyrazol-4-yl)benzamide

• ChemBase ID: 480981
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: C(=O)(NC1(C(=O)N)CCCC1)c1cc(c2c[nH]nc2)ccc1
• Canonical SMILES: NC(=O)C1(CCCC1)NC(=O)c1cccc(c1)c1c[nH]nc1
• InChI: InChI=1S/C16H18N4O2/c17-15(22)16(6-1-2-7-16)20-14(21)12-5-3-4-11(8-12)13-9-18-19-10-13/h3-5,8-10H,1-2,6-7H2,(H2,17,22)(H,18,19)(H,20,21)
• InChIKey: MNDJBLAGLJGMIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-3-(1H-pyrazol-4-yl)benzamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-3-(1H-pyrazol-4-yl)benzamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-3-(1H-pyrazol-4-yl)benzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.58
• LOG S: -1.87
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 3

JChem

• Molar Refractivity: 83.2165 cm^3
• Polarizability: 32.44281 Å^3
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.421954
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.2527784
• LogD (pH = 7.4): 1.2528602
• Log P: 1.2528613