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

• ChemBase ID: 408828
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: c1(c([nH]nc1C)C)CCN(C(=O)C(c1cc(ccc1)C)N(C)C)C
• Canonical SMILES: Cc1cccc(c1)C(C(=O)N(CCc1c(C)n[nH]c1C)C)N(C)C
• InChI: InChI=1S/C19H28N4O/c1-13-8-7-9-16(12-13)18(22(4)5)19(24)23(6)11-10-17-14(2)20-21-15(17)3/h7-9,12,18H,10-11H2,1-6H3,(H,20,21)
• InChIKey: HRGRDAFNRIGVQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.186696
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5104106
• LogD (pH = 7.4): 2.106677
• Log P: 2.406663
• Molar Refractivity: 99.8836 cm^3
• Polarizability: 37.642437 Å^3
• Polar Surface Area: 52.23 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: 2.96
• LOG S: -4.12
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 6