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

• ChemBase ID: 113018
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: n12c(nc(cc1O)C)cc(n2)C
• Canonical SMILES: Cc1cc(O)n2c(n1)cc(n2)C
• InChI: InChI=1S/C8H9N3O/c1-5-4-8(12)11-7(9-5)3-6(2)10-11/h3-4,12H,1-2H3
• InChIKey: TYMREJTVWXQVHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27166-46-7
• PubChem SID: 162098000
• PubChem CID: 736199

CALCULATED PROPERTIES

• Log P: 0.70143867
• Molar Refractivity: 54.1908 cm^3
• Polarizability: 16.538157 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 8.714406
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.70095265
• LogD (pH = 7.4): 0.68119127

PROPERTIES

Physical Property

• Melting Point: 251 - 253 °C

Product Information

• Purity: >95%