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CAS 321522-08-1

:

Ethyl 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyrazole-3-carboxylate

Description:
Ethyl 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyrazole-3-carboxylate, identified by CAS number 321522-08-1, is a complex organic compound characterized by its unique structural features, including a pyrrolo[3,4-c]pyrazole core. This compound contains multiple functional groups, such as a carboxylate ester and diketone moieties, which contribute to its chemical reactivity and potential biological activity. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its pharmacokinetic properties. Ethyl esters are generally known for their moderate volatility and solubility in organic solvents, which can affect their applications in various fields, including pharmaceuticals and agrochemicals. The compound's intricate structure suggests potential for diverse interactions with biological targets, making it of interest for medicinal chemistry research. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C15H12F3N3O4
InChI:InChI=1S/C15H12F3N3O4/c1-2-25-14(24)11-9-10(19-20-11)13(23)21(12(9)22)8-5-3-4-7(6-8)15(16,17)18/h3-6,9-10,19H,2H2,1H3
InChI key:InChIKey=DVBFBXSDQHIYIZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C2C(C(=O)N(C2=O)C3=CC(C(F)(F)F)=CC=C3)NN1
Synonyms:
  • Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-, ethyl ester
  • Ethyl 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-5-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyrazole-3-carboxylate
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