N-{1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-1H-pyrazol-5-yl}-4-methoxybenzamide

• ChemBase ID: 728604
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: c1(n(ncc1)C1CCN(C(=O)C(O)C)CC1)NC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccnn1C1CCN(CC1)C(=O)C(O)C
• InChI: InChI=1S/C19H24N4O4/c1-13(24)19(26)22-11-8-15(9-12-22)23-17(7-10-20-23)21-18(25)14-3-5-16(27-2)6-4-14/h3-7,10,13,15,24H,8-9,11-12H2,1-2H3,(H,21,25)
• InChIKey: BOJRNZUICLTJQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-1H-pyrazol-5-yl}-4-methoxybenzamide
• IUPAC Traditional name: N-{2-[1-(2-hydroxypropanoyl)piperidin-4-yl]pyrazol-3-yl}-4-methoxybenzamide
• Synonyms: N-[1-(1-lactoylpiperidin-4-yl)-1H-pyrazol-5-yl]-4-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.311431
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.4297567
• LogD (pH = 7.4): 0.42982566
• Log P: 0.4298271
• Molar Refractivity: 112.1298 cm^3
• Polarizability: 38.142036 Å^3
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.91
• LOG S: -2.69
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 5