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CAS 519137-40-7

:

(2E)-3-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid

Description:
The chemical substance known as (2E)-3-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid, with the CAS number 519137-40-7, is a synthetic organic compound characterized by its unique structure, which includes a propenoic acid moiety and a pyrazole ring substituted with a chlorophenyl group. This compound typically exhibits properties associated with both the propenoic acid and pyrazole functionalities, such as potential acidity due to the carboxylic acid group and the ability to engage in various chemical reactions, including electrophilic substitutions and conjugation. Its chlorophenyl substitution may enhance lipophilicity and influence biological activity, making it of interest in pharmaceutical research. The compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of anti-inflammatory or anticancer agents. Additionally, its stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both laboratory and industrial settings.
Formula:C18H13ClN2O2
InChI:InChI=1S/C18H13ClN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-12H,(H,22,23)/b11-8+
InChI key:InChIKey=HMIZBFXFFBXNEB-DHZHZOJOSA-N
SMILES:C(=C/C(O)=O)\C=1C(=NN(C1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3
Synonyms:
  • 2-Propenoic acid, 3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-, (2E)-
  • (2E)-3-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid
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