N-(1-carbamoylcyclopentyl)-3-phenyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 786757
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: c1(C(=O)NC2(C(=O)N)CCCC2)c(n[nH]c1)c1ccccc1
• Canonical SMILES: O=C(c1c[nH]nc1c1ccccc1)NC1(CCCC1)C(=O)N
• InChI: InChI=1S/C16H18N4O2/c17-15(22)16(8-4-5-9-16)19-14(21)12-10-18-20-13(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,17,22)(H,18,20)(H,19,21)
• InChIKey: HGLMATHBGOFBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-3-phenyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-3-phenyl-1H-pyrazole-4-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-3-phenyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.863676
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.6386659
• LogD (pH = 7.4): 1.6372317
• Log P: 1.6387116
• Molar Refractivity: 82.8445 cm^3
• Polarizability: 32.450974 Å^3
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.65
• LOG S: -1.93
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 4