2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

• ChemBase ID: 308575
• Molecular Formular: C9H9N3O2
• Molecular Mass: 191.18666
• Monoisotopic Mass: 191.06947654
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)O)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)O
• InChI: InChI=1S/C9H9N3O2/c1-5-3-8-10-7(9(13)14)4-6(2)12(8)11-5/h3-4H,1-2H3,(H,13,14)
• InChIKey: MRDPXJMGOYYABT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• IUPAC Traditional name: 2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• Synonyms: 2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Database IDs

• CAS Number: 1015846-86-2
• MDL Number: MFCD09971320

CALCULATED PROPERTIES

• Molar Refractivity: 60.399 cm^3
• Polarizability: 18.315523 Å^3
• Polar Surface Area: 67.49 Å^2
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.121466
• LogD (pH = 7.4): -2.3908496
• Log P: 0.80022323