3-(2-hydroxyphenyl)-N-[1-(4-methylpyridin-2-yl)propyl]-1H-pyrazole-5-carboxamide

• ChemBase ID: 504641
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: c1(cc(n[nH]1)c1c(O)cccc1)C(=O)NC(c1nccc(c1)C)CC
• Canonical SMILES: CCC(c1nccc(c1)C)NC(=O)c1[nH]nc(c1)c1ccccc1O
• InChI: InChI=1S/C19H20N4O2/c1-3-14(16-10-12(2)8-9-20-16)21-19(25)17-11-15(22-23-17)13-6-4-5-7-18(13)24/h4-11,14,24H,3H2,1-2H3,(H,21,25)(H,22,23)
• InChIKey: WWVNZXMPYNTFNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-hydroxyphenyl)-N-[1-(4-methylpyridin-2-yl)propyl]-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-(2-hydroxyphenyl)-N-[1-(4-methylpyridin-2-yl)propyl]-2H-pyrazole-3-carboxamide
• Synonyms: 3-(2-hydroxyphenyl)-N-[1-(4-methylpyridin-2-yl)propyl]-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.812427
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 3.116907
• LogD (pH = 7.4): 3.1768448
• Log P: 3.1942382
• Molar Refractivity: 96.3357 cm^3
• Polarizability: 37.515038 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.23
• LOG S: -0.82
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 5