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CAS 1006348-57-7

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α-Ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid

Description:
α-Ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features an ethyl group and a methyl group, contributing to its hydrophobic characteristics, while the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The presence of the acetic acid moiety suggests potential acidic properties, allowing for interactions in various chemical environments. This compound may exhibit unique pharmacological properties, making it of interest in medicinal chemistry and agrochemical applications. Its specific reactivity and interactions can be influenced by the electron-withdrawing trifluoromethyl group, which can affect the compound's overall stability and reactivity. As with many pyrazole derivatives, it may also display potential as a ligand in coordination chemistry or as a building block in the synthesis of more complex molecules. Safety and handling precautions should be observed due to the presence of fluorinated groups, which can pose environmental and health risks.
Formula:C9H11F3N2O2
InChI:InChI=1S/C9H11F3N2O2/c1-3-6(8(15)16)14-5(2)4-7(13-14)9(10,11)12/h4,6H,3H2,1-2H3,(H,15,16)
InChI key:InChIKey=XKONCEKLNBIPLF-UHFFFAOYSA-N
SMILES:C(C(O)=O)(CC)N1N=C(C(F)(F)F)C=C1C
Synonyms:
  • 1H-Pyrazole-1-acetic acid, α-ethyl-5-methyl-3-(trifluoromethyl)-
  • 2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
  • α-Ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid
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