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

• ChemBase ID: 645158
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(n(ncc1)C1CCN(CC1)CCO)NC(=O)CCc1ccccc1
• Canonical SMILES: OCCN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
• InChI: InChI=1S/C19H26N4O2/c24-15-14-22-12-9-17(10-13-22)23-18(8-11-20-23)21-19(25)7-6-16-4-2-1-3-5-16/h1-5,8,11,17,24H,6-7,9-10,12-15H2,(H,21,25)
• InChIKey: YHPZULXZXOMWCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.514408
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5762208
• LogD (pH = 7.4): 0.16464399
• Log P: 1.3437198
• Molar Refractivity: 110.144 cm^3
• Polarizability: 37.681118 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.22
• LOG S: -3.59
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 7