3-cyclopropyl-N-(6-methylpyridin-3-yl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 521100
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: c1(cc(n[nH]1)C1CC1)C(=O)Nc1cnc(cc1)C
• Canonical SMILES: Cc1ccc(cn1)NC(=O)c1[nH]nc(c1)C1CC1
• InChI: InChI=1S/C13H14N4O/c1-8-2-5-10(7-14-8)15-13(18)12-6-11(16-17-12)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,15,18)(H,16,17)
• InChIKey: GTAXJODIRWKEET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-N-(6-methylpyridin-3-yl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-(6-methylpyridin-3-yl)-2H-pyrazole-3-carboxamide
• Synonyms: 3-cyclopropyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.405304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0038078
• LogD (pH = 7.4): 1.1084204
• Log P: 1.1141798
• Molar Refractivity: 69.5817 cm^3
• Polarizability: 25.345953 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.1
• LOG S: -2.76
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 3