N-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-4-methyl-1,2,3,6-tetrahydropyridine-1-carboxamide

• ChemBase ID: 852591
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1(c(n(nc1C)C(C)C)C)NC(=O)N1CC=C(CC1)C
• Canonical SMILES: CC1=CCN(CC1)C(=O)Nc1c(C)nn(c1C)C(C)C
• InChI: InChI=1S/C15H24N4O/c1-10(2)19-13(5)14(12(4)17-19)16-15(20)18-8-6-11(3)7-9-18/h6,10H,7-9H2,1-5H3,(H,16,20)
• InChIKey: UFAFNQGPYZDBAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-4-methyl-1,2,3,6-tetrahydropyridine-1-carboxamide
• IUPAC Traditional name: N-(1-isopropyl-3,5-dimethylpyrazol-4-yl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
• Synonyms: N-(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-methyl-3,6-dihydropyridine-1(2H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.289861
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7440063
• LogD (pH = 7.4): 1.7445892
• Log P: 1.7446505
• Molar Refractivity: 94.5897 cm^3
• Polarizability: 30.360264 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.46
• LOG S: -3.32
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 2