(2R)-2-amino-N-ethyl-2-phenyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

• ChemBase ID: 642493
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: C(=O)([C@@H](c1ccccc1)N)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)[C@@H](c1ccccc1)N)CCn1cccn1
• InChI: InChI=1S/C15H20N4O/c1-2-18(11-12-19-10-6-9-17-19)15(20)14(16)13-7-4-3-5-8-13/h3-10,14H,2,11-12,16H2,1H3/t14-/m1/s1
• InChIKey: UMSDIFCCQSLTDL-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-ethyl-2-phenyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: (2R)-2-amino-N-ethyl-2-phenyl-N-[2-(pyrazol-1-yl)ethyl]acetamide
• Synonyms: (2R)-2-amino-N-ethyl-2-phenyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1550897
• LogD (pH = 7.4): 0.5186736
• Log P: 1.0157522
• Molar Refractivity: 89.7179 cm^3
• Polarizability: 30.509861 Å^3
• Polar Surface Area: 64.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.19
• LOG S: -2.2
• Polar Surface Area: 64.15 Å^2
• Rotatable Bonds: 6