1-methyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]-3-propyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 546028
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(n(nc(c1)CCC)C)C(=O)NC(Cc1ncccc1C)C
• Canonical SMILES: CCCc1nn(c(c1)C(=O)NC(Cc1ncccc1C)C)C
• InChI: InChI=1S/C17H24N4O/c1-5-7-14-11-16(21(4)20-14)17(22)19-13(3)10-15-12(2)8-6-9-18-15/h6,8-9,11,13H,5,7,10H2,1-4H3,(H,19,22)
• InChIKey: UYLZKNUDODBDNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]-3-propyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 2-methyl-N-[1-(3-methylpyridin-2-yl)propan-2-yl]-5-propylpyrazole-3-carboxamide
• Synonyms: 1-methyl-N-[1-methyl-2-(3-methyl-2-pyridinyl)ethyl]-3-propyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.547372
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.297805
• LogD (pH = 7.4): 2.425263
• Log P: 2.4271798
• Molar Refractivity: 98.7263 cm^3
• Polarizability: 33.16455 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.46
• LOG S: -1.34
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6