5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ol

• ChemBase ID: 243948
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: c12n(nc(c1)O)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)cc(n2)O
• InChI: InChI=1S/C8H9N3O/c1-5-3-6(2)11-7(9-5)4-8(12)10-11/h3-4H,1-2H3,(H,10,12)
• InChIKey: GTMSGUGXMUVWIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ol
• IUPAC Traditional name: 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ol
• Synonyms: 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ol

Database IDs

• CAS Number: 26911-66-0
• MDL Number: MFCD00501928
• PubChem SID: 164299858
• PubChem CID: 301725

CALCULATED PROPERTIES

• Acid pKa: 6.8925996
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2579311
• LogD (pH = 7.4): 0.67901695
• Log P: 1.2747964
• Molar Refractivity: 55.8092 cm^3
• Polarizability: 16.536438 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 241 - 243°C
• Hydrophobicity(logP): 2.053

Product Information

• Purity: 95%