N-[3-(2-ethoxyphenyl)propyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 640300
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NCCCc1c(OCC)cccc1)C
• Canonical SMILES: CCOc1ccccc1CCCNC(=O)c1cc(C)n2c(n1)cc(n2)C
• InChI: InChI=1S/C20H24N4O2/c1-4-26-18-10-6-5-8-16(18)9-7-11-21-20(25)17-13-15(3)24-19(22-17)12-14(2)23-24/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3,(H,21,25)
• InChIKey: CJFKZPOTMFJSIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethoxyphenyl)propyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[3-(2-ethoxyphenyl)propyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-[3-(2-ethoxyphenyl)propyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.179444
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1007202
• LogD (pH = 7.4): 3.100908
• Log P: 3.1009104
• Molar Refractivity: 112.2983 cm^3
• Polarizability: 38.230427 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.36
• LOG S: -4.64
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 7