N,N-dimethyl-2-phenyl-2-({2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)acetamide

• ChemBase ID: 497967
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: n12c(c(c(n2)C)C)nc(cc1NC(C(=O)N(C)C)c1ccccc1)C
• Canonical SMILES: Cc1cc(NC(C(=O)N(C)C)c2ccccc2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C19H23N5O/c1-12-11-16(24-18(20-12)13(2)14(3)22-24)21-17(19(25)23(4)5)15-9-7-6-8-10-15/h6-11,17,21H,1-5H3
• InChIKey: CGLAZNIOODWTKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-phenyl-2-({2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-phenyl-2-({2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)acetamide
• Synonyms: N,N-dimethyl-2-phenyl-2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.019238
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.045704
• LogD (pH = 7.4): 2.0460217
• Log P: 2.0460258
• Molar Refractivity: 109.503 cm^3
• Polarizability: 36.971 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.46
• LOG S: -3.76
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4