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CAS 923283-86-7

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Methyl 1-(1-methylethyl)-4-nitro-1H-pyrazole-5-carboxylate

Description:
Methyl 1-(1-methylethyl)-4-nitro-1H-pyrazole-5-carboxylate, identified by its CAS number 923283-86-7, is a chemical compound that belongs to the class of pyrazole derivatives. This substance features a pyrazole ring, which is a five-membered aromatic ring containing two nitrogen atoms. The presence of a nitro group (-NO2) at the 4-position of the pyrazole ring contributes to its reactivity and potential applications in various chemical reactions. The methyl ester functional group at the 5-position enhances its solubility in organic solvents, making it suitable for various synthetic applications. Additionally, the isopropyl group (1-methylethyl) at the 1-position provides steric hindrance, which can influence the compound's biological activity and interaction with other molecules. Overall, this compound is of interest in medicinal chemistry and agrochemical research due to its unique structural features and potential biological properties.
Formula:C8H11N3O4
InChI:InChI=1S/C8H11N3O4/c1-5(2)10-7(8(12)15-3)6(4-9-10)11(13)14/h4-5H,1-3H3
InChI key:InChIKey=ZETGPKPUVRMDBP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C=NN1C(C)C
Synonyms:
  • Methyl 1-(1-methylethyl)-4-nitro-1H-pyrazole-5-carboxylate
  • Methyl 1-isopropyl-4-nitro-1H-pyrazole-5-carboxylate
  • 2-Isopropyl-4-nitro-2H-pyrazole-3-carboxylic acid methyl ester
  • 1H-Pyrazole-5-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester
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