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CAS 861210-30-2

:

4-[2,5-Dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid

Description:
4-[2,5-Dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid, with the CAS number 861210-30-2, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a pyrazole ring. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of hydroxyl and carboxylic acid functional groups. The pyrazole ring contributes to its biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests it may participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. Additionally, the presence of the hydroxyethyl group may enhance its solubility and stability in various environments. Overall, this compound's unique characteristics make it a subject of interest in medicinal chemistry and related fields, where it may be explored for potential therapeutic applications.
Formula:C13H14N2O4
InChI:InChI=1S/C13H14N2O4/c1-8-11(6-7-16)12(17)15(14-8)10-4-2-9(3-5-10)13(18)19/h2-5,14,16H,6-7H2,1H3,(H,18,19)
InChI key:InChIKey=BCBQTDQZKWLDJB-UHFFFAOYSA-N
SMILES:O=C1N(NC(C)=C1CCO)C2=CC=C(C(O)=O)C=C2
Synonyms:
  • 4-[2,5-Dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid
  • Benzoic acid, 4-[2,5-dihydro-4-(2-hydroxyethyl)-3-methyl-5-oxo-1H-pyrazol-1-yl]-
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