2-amino-N-cyclopentyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide

• ChemBase ID: 405405
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: c1(C(C(=O)N(Cc2ccc(cc2)C)C2CCCC2)N)c([nH]nc1C)C
• Canonical SMILES: Cc1ccc(cc1)CN(C(=O)C(c1c(C)n[nH]c1C)N)C1CCCC1
• InChI: InChI=1S/C20H28N4O/c1-13-8-10-16(11-9-13)12-24(17-6-4-5-7-17)20(25)19(21)18-14(2)22-23-15(18)3/h8-11,17,19H,4-7,12,21H2,1-3H3,(H,22,23)
• InChIKey: WPFYHQLZSWZQRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-amino-N-cyclopentyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide
• Synonyms: 2-amino-N-cyclopentyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methylbenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.927889
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8034782
• LogD (pH = 7.4): 2.3679574
• Log P: 2.6570752
• Molar Refractivity: 101.4725 cm^3
• Polarizability: 38.752533 Å^3
• Polar Surface Area: 75.01 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: 3.22
• LOG S: -4.43
• Polar Surface Area: 75.01 Å^2
• Rotatable Bonds: 5