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CAS 97421-21-1

:

1-(1-Methylethyl)-4-nitro-1H-pyrazole

Description:
1-(1-Methylethyl)-4-nitro-1H-pyrazole, identified by its CAS number 97421-21-1, is a chemical compound that belongs to the pyrazole class of heterocyclic compounds. It features a pyrazole ring, which is a five-membered ring containing two adjacent 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 isopropyl group (1-methylethyl) at the 1-position enhances its lipophilicity, which may influence its solubility and biological activity. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its structural characteristics suggest potential applications in agrochemicals, pharmaceuticals, or as a building block in organic synthesis. However, specific properties such as melting point, boiling point, and solubility would need to be referenced from experimental data or literature for precise applications and handling guidelines.
Formula:C6H9N3O2
InChI:InChI=1S/C6H9N3O2/c1-5(2)8-4-6(3-7-8)9(10)11/h3-5H,1-2H3
InChI key:InChIKey=CBSSFOTWGVIHFX-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CN(C(C)C)N=C1
Synonyms:
  • 1-Isopropyl-4-nitro-1H-pyrazole
  • 1-Isopropyl-4-nitropyrazole
  • 1-(1-Methylethyl)-4-nitro-1H-pyrazole
  • 1H-Pyrazole, 1-(1-methylethyl)-4-nitro-
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