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CAS 1175992-94-5

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1-Methyl-4-nitro-3-(propyl-2,2,3,3,3-d<sub>5</sub>)-1H-pyrazole-5-carboxylic acid

Description:
1-Methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of a methyl group and a nitro group at specific positions on the pyrazole ring contributes to its unique reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The propyl group, specifically deuterated at the 2,2,3,3,3 positions, indicates that this compound has been modified for isotopic labeling, which can be useful in studies involving metabolic pathways or mechanistic investigations. The carboxylic acid functional group enhances its solubility in polar solvents and can participate in various chemical reactions, such as esterification or amidation. Overall, this compound's structural features suggest it may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and related research areas.
Formula:C8H6D5N3O4
InChI:InChI=1S/C8H11N3O4/c1-3-4-5-6(11(14)15)7(8(12)13)10(2)9-5/h3-4H2,1-2H3,(H,12,13)/i1D3,3D2
InChI key:InChIKey=GFORSNBMYCLGIE-WNWXXORZSA-N
SMILES:N(=O)(=O)C1=C(C(O)=O)N(C)N=C1CC(C([2H])([2H])[2H])([2H])[2H]
Synonyms:
  • 1H-Pyrazole-5-carboxylic acid, 1-methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)-
  • 1-Methyl-4-nitro-3-(propyl-2,2,3,3,3-d5)-1H-pyrazole-5-carboxylic acid
  • GFORSNBMYCLGIE-WNWXXORZSA-N
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