4-METHYLPYRAZOLE-5-CARBOXYLICACID

4-methyl-pyrazole-3-carboxylic acid is a memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 4 and 3 respectively. It has a role as a metabolite. It is a member of pyrazoles and a monocarboxylic acid. It derives from a hydride of a 1H-pyrazole.

4-Methyl-5-trimethylsilylpyrazole-3-carboxylic acid ethyl ester (3.3 g, 14.6 mmol), prepared in accordance with Example 62(a), was dissolved in EtOH (100 mL) and NaOH (aq., 1 M, 73 mL, 73 mmol) was added. The mixture was heated at reflux for 18 h, cooled to rt, acidified with hydrochloric acid (1 M, 100 mL) and concentrated to near dryness. The residue was extracted with EtOAc (3x100 mL), the combined extracts dried with (Na

Molecular Weight:126.11
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.042927438
Monoisotopic Mass:126.042927438
Topological Polar Surface Area:66
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes