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CAS 23170-45-8

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1H-Pyrazole-4-carboxylic acid, 3-methyl-, methyl ester

Description:
1H-Pyrazole-4-carboxylic acid, 3-methyl-, methyl ester, with CAS number 23170-45-8, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a carboxylic acid functional group at the 4-position and a methyl group at the 3-position of the pyrazole ring, along with a methyl ester group. It is typically a white to off-white solid, soluble in polar organic solvents, and may exhibit moderate stability under standard conditions. The presence of both the carboxylic acid and ester functionalities suggests potential for reactivity, including esterification and acid-base reactions. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility in synthetic applications. As with many pyrazole derivatives, it may exhibit diverse pharmacological properties, making it a subject of research in medicinal chemistry.
Formula:C6H8N2O2
InChI:InChI=1S/C6H8N2O2/c1-4-5(3-7-8-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChI key:InChIKey=CRMIQSQQCPLMIJ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C(C)=NNC1
Synonyms:
  • 1H-pyrazole-4-carboxylic acid, 3-methyl-, methyl ester
  • 1H-pyrazole-4-carboxylic acid, 5-methyl-, methyl ester
  • 3-Methyl-1H-pyrazole-4-carboxylic acid methyl ester
  • Methyl 3-methyl-1H-pyrazole-4-carboxylate
  • Pyrazole-4-carboxylic acid, 3-methyl-, methyl ester
  • Methyl 5-methyl-1H-pyrazole-4-carboxylate
  • Methyl 5-methyl-1H-pyrazole-4-carboxylate
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