N-(1-{4-[4-(2-hydroxyethyl)-1H-pyrazol-1-yl]phenyl}ethyl)acetamide

• ChemBase ID: 395218
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1(ncc(c1)CCO)c1ccc(C(NC(=O)C)C)cc1
• Canonical SMILES: OCCc1cnn(c1)c1ccc(cc1)C(NC(=O)C)C
• InChI: InChI=1S/C15H19N3O2/c1-11(17-12(2)20)14-3-5-15(6-4-14)18-10-13(7-8-19)9-16-18/h3-6,9-11,19H,7-8H2,1-2H3,(H,17,20)
• InChIKey: VIWODXBMJRGLTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{4-[4-(2-hydroxyethyl)-1H-pyrazol-1-yl]phenyl}ethyl)acetamide
• IUPAC Traditional name: N-(1-{4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl}ethyl)acetamide
• Synonyms: N-(1-{4-[4-(2-hydroxyethyl)-1H-pyrazol-1-yl]phenyl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.258105
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.94152004
• LogD (pH = 7.4): 0.9415652
• Log P: 0.9415658
• Molar Refractivity: 78.3266 cm^3
• Polarizability: 30.196018 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.27
• LOG S: -2.74
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5