pyrazolo[1,5-a]pyrimidin-5-ol

• ChemBase ID: 287718
• Molecular Formular: C6H5N3O
• Molecular Mass: 135.1234
• Monoisotopic Mass: 135.0432618
• SMILES: Oc1nc2ccnn2cc1
• Canonical SMILES: Oc1ccn2c(n1)ccn2
• InChI: InChI=1S/C6H5N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1-4H,(H,8,10)
• InChIKey: LSLIYLLMLAQRIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazolo[1,5-a]pyrimidin-5-ol
• IUPAC Traditional name: pyrazolo[1,5-a]pyrimidin-5-ol
• Synonyms: Pyrazolo[1,5-a]pyrimidin-5-ol

Database IDs

• CAS Number: 29274-22-4
• MDL Number: MFCD04035685
• PubChem SID: 180673249
• PubChem CID: 16106429

CALCULATED PROPERTIES

• Acid pKa: 10.284688
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9438278
• LogD (pH = 7.4): 0.9433066
• Log P: 0.9438648
• Molar Refractivity: 46.068 cm^3
• Polarizability: 13.027501 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%