N'-cyclopentyl-N-[1-(1H-pyrazol-1-yl)propan-2-yl]butanediamide

• ChemBase ID: 691865
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: n1(nccc1)CC(NC(=O)CCC(=O)NC1CCCC1)C
• Canonical SMILES: CC(Cn1cccn1)NC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C15H24N4O2/c1-12(11-19-10-4-9-16-19)17-14(20)7-8-15(21)18-13-5-2-3-6-13/h4,9-10,12-13H,2-3,5-8,11H2,1H3,(H,17,20)(H,18,21)
• InChIKey: PUTJAGSRZUWLOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-[1-(1H-pyrazol-1-yl)propan-2-yl]butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-[1-(pyrazol-1-yl)propan-2-yl]succinamide
• Synonyms: N-cyclopentyl-N'-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.192786
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.43570977
• LogD (pH = 7.4): 0.4358401
• Log P: 0.43584177
• Molar Refractivity: 90.7992 cm^3
• Polarizability: 30.944355 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.92
• LOG S: -2.11
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 7