N-(1-carbamoylcyclopentyl)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 854151
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c1(n(nc(c1)CCC)C)C(=O)NC1(C(=O)N)CCCC1
• Canonical SMILES: CCCc1cc(n(n1)C)C(=O)NC1(CCCC1)C(=O)N
• InChI: InChI=1S/C14H22N4O2/c1-3-6-10-9-11(18(2)17-10)12(19)16-14(13(15)20)7-4-5-8-14/h9H,3-8H2,1-2H3,(H2,15,20)(H,16,19)
• InChIKey: OTMHKHPLJVUPTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-2-methyl-5-propylpyrazole-3-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.550374
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.92569715
• LogD (pH = 7.4): 0.9257866
• Log P: 0.92578775
• Molar Refractivity: 86.9932 cm^3
• Polarizability: 28.751053 Å^3
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.21
• LOG S: -2.36
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 5