2-(2-benzylmorpholin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide

• ChemBase ID: 555859
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c1(cn(nc1)C)NC(=O)CN1CC(OCC1)Cc1ccccc1
• Canonical SMILES: O=C(Nc1cnn(c1)C)CN1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C17H22N4O2/c1-20-11-15(10-18-20)19-17(22)13-21-7-8-23-16(12-21)9-14-5-3-2-4-6-14/h2-6,10-11,16H,7-9,12-13H2,1H3,(H,19,22)
• InChIKey: AHADTISCOGMXKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-benzylmorpholin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide
• IUPAC Traditional name: 2-(2-benzylmorpholin-4-yl)-N-(1-methylpyrazol-4-yl)acetamide
• Synonyms: 2-(2-benzyl-4-morpholinyl)-N-(1-methyl-1H-pyrazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.43475
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1424434
• LogD (pH = 7.4): 1.3806088
• Log P: 1.3847157
• Molar Refractivity: 101.3657 cm^3
• Polarizability: 33.99563 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.76
• LOG S: -3.0
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5