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CAS 1217862-66-2

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Ethyl 1-(cyanomethyl)-1H-pyrazole-5-carboxylate

Description:
Ethyl 1-(cyanomethyl)-1H-pyrazole-5-carboxylate is a chemical compound characterized by its pyrazole ring, which is a five-membered heterocyclic structure containing two adjacent nitrogen atoms. This compound features a carboxylate functional group, which contributes to its acidic properties, and a cyanomethyl group that enhances its reactivity and potential for further chemical modifications. The ethyl ester group provides solubility in organic solvents and can participate in various chemical reactions, such as esterification or hydrolysis. The presence of the cyano group introduces a polar character, making the compound useful in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its unique structure allows for potential applications in medicinal chemistry, where pyrazole derivatives are often explored for their biological activities. Overall, Ethyl 1-(cyanomethyl)-1H-pyrazole-5-carboxylate is a versatile compound with significant implications in chemical synthesis and research.
Formula:C8H9N3O2
InChI:InChI=1S/C8H9N3O2/c1-2-13-8(12)7-3-5-10-11(7)6-4-9/h3,5H,2,6H2,1H3
InChI key:InChIKey=SGYSNSWPTUJHNF-UHFFFAOYSA-N
SMILES:C(C#N)N1C(C(OCC)=O)=CC=N1
Synonyms:
  • Ethyl 1-(cyanomethyl)-1H-pyrazole-5-carboxylate
  • 1H-Pyrazole-5-carboxylic acid, 1-(cyanomethyl)-, ethyl ester
  • 2-Cyanomethyl-2H-pyrazole-3-carboxylic acid ethyl ester
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