N-[1-(pyridin-4-yl)propyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide

• ChemBase ID: 369162
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(n[nH]c2c1CCC2)C(=O)NC(c1ccncc1)CC
• Canonical SMILES: CCC(c1ccncc1)NC(=O)c1n[nH]c2c1CCC2
• InChI: InChI=1S/C15H18N4O/c1-2-12(10-6-8-16-9-7-10)17-15(20)14-11-4-3-5-13(11)18-19-14/h6-9,12H,2-5H2,1H3,(H,17,20)(H,18,19)
• InChIKey: CSYBZKGPXQHYNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyridin-4-yl)propyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• IUPAC Traditional name: N-[1-(pyridin-4-yl)propyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• Synonyms: N-(1-pyridin-4-ylpropyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.012679
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8470689
• LogD (pH = 7.4): 1.9536773
• Log P: 1.9552739
• Molar Refractivity: 77.6597 cm^3
• Polarizability: 28.838963 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.02
• LOG S: -0.74
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4