2,7-dimethyl-N-(1,2-oxazol-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 691048
• Molecular Formular: C13H13N5O2
• Molecular Mass: 271.27462
• Monoisotopic Mass: 271.10692468
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NCc1nocc1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)NCc1nocc1
• InChI: InChI=1S/C13H13N5O2/c1-8-5-12-15-11(6-9(2)18(12)16-8)13(19)14-7-10-3-4-20-17-10/h3-6H,7H2,1-2H3,(H,14,19)
• InChIKey: JKGWECPWXAIDRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-N-(1,2-oxazol-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2,7-dimethyl-N-(1,2-oxazol-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-(isoxazol-3-ylmethyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.883196
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.614371
• LogD (pH = 7.4): 0.6145587
• Log P: 0.6145612
• Molar Refractivity: 82.6503 cm^3
• Polarizability: 26.251574 Å^3
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.23
• LOG S: -2.69
• Polar Surface Area: 85.32 Å^2
• Rotatable Bonds: 3