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CAS 81153-64-2

:

Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate

Description:
Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate, with the CAS number 81153-64-2, is an organic compound that belongs to the class of pyrazole derivatives. It features a pyrazole ring, which is a five-membered ring containing two nitrogen atoms, and is substituted with an ethyl ester group and a phenyl group. This compound is typically characterized by its moderate to high solubility in organic solvents, such as ethanol and acetone, while being less soluble in water due to its hydrophobic phenyl group. Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its structure suggests potential applications in various fields, including agrochemicals and pharmaceuticals. The presence of the carboxylate group can also influence its reactivity and interactions with other chemical species. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact would depend on the concentration and exposure levels.
Formula:C13H14N2O2
InChI:InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-10(2)15(14-12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI key:InChIKey=YBPIMHCENGHGMJ-UHFFFAOYSA-N
SMILES:CC=1N(N=C(C(OCC)=O)C1)C2=CC=CC=C2
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, ethyl ester
  • 3-Ethoxycarbonyl-1-phenyl-5-methylpyrazole
  • 3-Ethoxycarbonyl-5-methyl-1-phenylpyrazole
  • 5-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
  • Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-, ethyl ester
  • Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
  • Ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
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