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CAS 78208-69-2

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Methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate

Description:
Methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate, with the CAS number 78208-69-2, 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 and a carboxylate ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the methyl groups enhances its lipophilicity, which may influence its solubility in organic solvents. Typically, compounds like this are studied for their biological activity, including potential use in pharmaceuticals or agrochemicals. The nitro group can serve as a site for further chemical modifications, making it a versatile intermediate in synthetic chemistry. Additionally, the compound's stability and reactivity can be affected by environmental conditions such as pH and temperature. Overall, Methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate is of interest in various fields, including medicinal chemistry and materials science.
Formula:C7H9N3O4
InChI:InChI=1S/C7H9N3O4/c1-4-5(10(12)13)6(7(11)14-3)9(2)8-4/h1-3H3
InChI key:InChIKey=IOUAFFJKVPAOLG-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C(C)=NN1C
Synonyms:
  • 1H-Pyrazole-5-carboxylic acid, 1,3-dimethyl-4-nitro-, methyl ester
  • Methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
  • 2,5-Dimethyl-4-nitro-2H-pyrazole-3-carboxylic acid methyl ester
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