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

• ChemBase ID: 698234
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: c1(n(ncc1)C1CCN(CC1)CC(O)C)NC(=O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)CC(O)C
• InChI: InChI=1S/C19H26N4O3/c1-14(24)13-22-11-8-15(9-12-22)23-18(7-10-20-23)21-19(25)16-5-3-4-6-17(16)26-2/h3-7,10,14-15,24H,8-9,11-13H2,1-2H3,(H,21,25)
• InChIKey: GUZNPTMDAYYDHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.287342
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9478744
• LogD (pH = 7.4): -0.2956292
• Log P: 1.1778896
• Molar Refractivity: 112.3736 cm^3
• Polarizability: 38.34536 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.65
• LOG S: -3.22
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 6