N-{1-[1-(2-hydroxyacetyl)piperidin-4-yl]-1H-pyrazol-5-yl}-3-phenylpropanamide

• ChemBase ID: 361848
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(n(ncc1)C1CCN(C(=O)CO)CC1)NC(=O)CCc1ccccc1
• Canonical SMILES: OCC(=O)N1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
• InChI: InChI=1S/C19H24N4O3/c24-14-19(26)22-12-9-16(10-13-22)23-17(8-11-20-23)21-18(25)7-6-15-4-2-1-3-5-15/h1-5,8,11,16,24H,6-7,9-10,12-14H2,(H,21,25)
• InChIKey: PZYWQXXGPMLGFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.270614
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.44339353
• LogD (pH = 7.4): 0.44346663
• Log P: 0.44346815
• Molar Refractivity: 109.8251 cm^3
• Polarizability: 37.463474 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.1
• LOG S: -2.74
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 6