2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,2-diphenylpropyl)acetamide

• ChemBase ID: 676794
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(c([nH]nc1C)C)C(C(=O)NCC(c1ccccc1)(c1ccccc1)C)N
• Canonical SMILES: O=C(C(c1c(C)n[nH]c1C)N)NCC(c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C22H26N4O/c1-15-19(16(2)26-25-15)20(23)21(27)24-14-22(3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,20H,14,23H2,1-3H3,(H,24,27)(H,25,26)
• InChIKey: NOONPPUXSRNQIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,2-diphenylpropyl)acetamide
• IUPAC Traditional name: 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,2-diphenylpropyl)acetamide
• Synonyms: 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,2-diphenylpropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.798599
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.8698634
• LogD (pH = 7.4): 2.4377546
• Log P: 2.7307148
• Molar Refractivity: 119.3355 cm^3
• Polarizability: 41.799747 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 3.11
• LOG S: -4.5
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 6