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CAS 127892-62-0

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4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid

Description:
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid is a heterocyclic organic compound characterized by its pyrazole ring structure, which contains both nitrogen and carbon atoms. This compound features a chloro substituent at the 4-position, an ethyl group at the 3-position, and a methyl group at the 1-position of the pyrazole ring, along with a carboxylic acid functional group at the 5-position. The presence of these functional groups contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid group. Its molecular structure suggests potential for interactions such as hydrogen bonding, which can influence its biological activity and solubility characteristics. As with many pyrazole derivatives, it may possess interesting pharmacological properties, making it a subject of interest in medicinal chemistry research.
Formula:C7H9ClN2O2
InChI:InChI=1/C7H9ClN2O2/c1-3-4-5(8)6(7(11)12)10(2)9-4/h3H2,1-2H3,(H,11,12)
InChI key:NXAIFVHVBHMNJS-UHFFFAOYSA-N
SMILES:CCc1c(c(C(=O)O)n(C)n1)Cl
Synonyms:
  • 1H-pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-
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