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CAS 181585-93-3

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5-Nitro-1H-Pyrazole-3-Carboxylic Acid Methyl Ester

Description:
5-Nitro-1H-Pyrazole-3-Carboxylic Acid Methyl Ester is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a nitro group (-NO2) at the 5-position and a carboxylic acid methyl ester group (-COOCH3) at the 3-position of the pyrazole ring. The presence of the nitro group contributes to its potential reactivity and applications in various chemical syntheses. The methyl ester functionality enhances its solubility in organic solvents, making it useful in organic synthesis and medicinal chemistry. This compound may exhibit biological activity, which can be explored for potential pharmaceutical applications. Its molecular structure allows for various functionalization possibilities, making it a versatile intermediate in the synthesis of more complex molecules. As with many nitro-containing compounds, it is essential to handle this substance with care due to potential hazards associated with nitro groups, including sensitivity to heat and shock.
Formula:C5H5N3O4
InChI:InChI=1/C5H5N3O4/c1-12-5(9)3-2-4(7-6-3)8(10)11/h2H,1H3,(H,6,7)
SMILES:COC(=O)c1cc(n[nH]1)N(=O)=O
Synonyms:
  • 1H-pyrazole-3-carboxylic acid, 5-nitro-, methyl ester
  • methyl 5-nitro-1H-pyrazole-3-carboxylate
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