5-methyl-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-1-propyl-1H-pyrazole-4-carboxamide

• ChemBase ID: 395716
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c1(C(=O)NC2CC(=O)Nc3c2cccc3)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)NC1CC(=O)Nc2c1cccc2
• InChI: InChI=1S/C17H20N4O2/c1-3-8-21-11(2)13(10-18-21)17(23)20-15-9-16(22)19-14-7-5-4-6-12(14)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,19,22)(H,20,23)
• InChIKey: GHAHOUMDTSUHSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-1-propyl-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 5-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1-propylpyrazole-4-carboxamide
• Synonyms: 5-methyl-N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)-1-propyl-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.568859
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5145619
• LogD (pH = 7.4): 1.5146054
• Log P: 1.5146062
• Molar Refractivity: 100.6449 cm^3
• Polarizability: 32.780067 Å^3
• Polar Surface Area: 76.02 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: 1.46
• LOG S: -2.73
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 4