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CAS 113619-02-6

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1,3-Diethyl 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanedioate

Description:
1,3-Diethyl 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanedioate, with the CAS number 113619-02-6, is an organic compound characterized by its complex structure, which includes a diethyl ester group and a pyrazole moiety. This compound features a propanedioate backbone, indicating the presence of two carboxylate functional groups, which are esterified with ethyl groups. The pyrazole ring, substituted with three methyl groups, contributes to its unique chemical properties and potential biological activity. The presence of these functional groups suggests that the compound may exhibit interesting reactivity, including potential for esterification and nucleophilic substitution reactions. Additionally, the pyrazole structure is often associated with various pharmacological activities, making this compound of interest in medicinal chemistry. Its solubility, stability, and reactivity can vary based on the solvent and conditions, which are important considerations for its application in synthesis or as a potential drug candidate. Overall, this compound exemplifies the diversity of organic chemistry and the potential for novel applications in various fields.
Formula:C13H20N2O4
InChI:InChI=1S/C13H20N2O4/c1-6-18-12(16)11(13(17)19-7-2)10-8(3)14-15(5)9(10)4/h11H,6-7H2,1-5H3
InChI key:InChIKey=YVBYIXXXHBPOFG-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C(OCC)=O)C1=C(C)N(C)N=C1C
Synonyms:
  • Propanedioic acid, 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, 1,3-diethyl ester
  • Propanedioic acid, (1,3,5-trimethyl-1H-pyrazol-4-yl)-, diethyl ester
  • 1,3-Diethyl 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanedioate
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