N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 637313
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N(Cc1c(OCC)cccc1)C1CC1)C
• Canonical SMILES: CCOc1ccccc1CN(C(=O)c1cc(C)n2c(n1)cc(n2)C)C1CC1
• InChI: InChI=1S/C21H24N4O2/c1-4-27-19-8-6-5-7-16(19)13-24(17-9-10-17)21(26)18-12-15(3)25-20(22-18)11-14(2)23-25/h5-8,11-12,17H,4,9-10,13H2,1-3H3
• InChIKey: MKRRBTOILCDMBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-cyclopropyl-N-(2-ethoxybenzyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.056733
• LogD (pH = 7.4): 3.0569189
• Log P: 3.0569212
• Molar Refractivity: 115.0502 cm^3
• Polarizability: 39.342228 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.45
• LOG S: -3.95
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 6