N-[1-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 394793
• Molecular Formular: C16H23N3O
• Molecular Mass: 273.37332
• Monoisotopic Mass: 273.18411237
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC(C1=CCCCC1)C
• Canonical SMILES: CC(C1=CCCCC1)NC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C16H23N3O/c1-12(13-7-3-2-4-8-13)18-16(20)14-11-17-19-10-6-5-9-15(14)19/h7,11-12H,2-6,8-10H2,1H3,(H,18,20)
• InChIKey: NWZHXRUEBFZWHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[1-(cyclohex-1-en-1-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-(1-cyclohex-1-en-1-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.833466
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3717358
• LogD (pH = 7.4): 2.3717737
• Log P: 2.3717742
• Molar Refractivity: 92.4164 cm^3
• Polarizability: 30.214088 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.11
• LOG S: -3.85
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3