7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

• ChemBase ID: 306452
• Molecular Formular: C8H7N3O3
• Molecular Mass: 193.15948
• Monoisotopic Mass: 193.0487411
• SMILES: c12n(c(cc(n2)C)O)ncc1C(=O)O
• Canonical SMILES: Cc1cc(O)n2c(n1)c(cn2)C(=O)O
• InChI: InChI=1S/C8H7N3O3/c1-4-2-6(12)11-7(10-4)5(3-9-11)8(13)14/h2-3,12H,1H3,(H,13,14)
• InChIKey: BKWFHANLTXQVMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• IUPAC Traditional name: 7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• Synonyms: 7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Database IDs

• CAS Number: 90004-30-1
• MDL Number: MFCD03450740

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7986245
• LogD (pH = 7.4): -3.185056
• Log P: 0.22765139
• Molar Refractivity: 56.8555 cm^3
• Polarizability: 17.248486 Å^3
• Polar Surface Area: 87.72 Å^2