N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 743936
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NCC1ON=C(C1)CC)C
• Canonical SMILES: CCC1=NOC(C1)CNC(=O)c1cc(C)n2c(n1)cc(n2)C
• InChI: InChI=1S/C15H19N5O2/c1-4-11-7-12(22-19-11)8-16-15(21)13-6-10(3)20-14(17-13)5-9(2)18-20/h5-6,12H,4,7-8H2,1-3H3,(H,16,21)
• InChIKey: SUHDKLZMNVHJGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 80.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.1423645
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4613041
• LogD (pH = 7.4): 1.4648652
• Log P: 1.4649109
• Molar Refractivity: 92.0851 cm^3
• Polarizability: 30.540922 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 80.88 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 1
• Log P: 1.61
• LOG S: -2.77