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CAS 179057-12-6

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Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

Description:
Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester, identified by CAS number 179057-12-6, is an organic compound characterized by its ester functional group and a pyrazole moiety. This compound features a benzoic acid backbone, which is a carboxylic acid derivative, and is modified with a methyl ester group, enhancing its solubility in organic solvents. The presence of the 1-methyl-1H-pyrazol-5-yl group introduces unique properties, potentially influencing its reactivity and biological activity. Typically, compounds of this nature may exhibit moderate to high lipophilicity, making them suitable for various applications in pharmaceuticals and agrochemicals. The molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic purposes. Additionally, the compound may possess specific melting and boiling points, solubility characteristics, and stability profiles that are essential for its practical applications. Safety data and handling precautions should be considered, as with all chemical substances, to ensure proper usage and minimize risks.
Formula:C12H12N2O2
InChI:InChI=1/C12H12N2O2/c1-14-11(7-8-13-14)9-3-5-10(6-4-9)12(15)16-2/h3-8H,1-2H3
InChI key:InChIKey=PYEWEFGLTSTRFG-UHFFFAOYSA-N
SMILES:CN1C(C2=CC=C(C(OC)=O)C=C2)=CC=N1
Synonyms:
  • Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester
  • Methyl 4-(1-Methyl-1H-pyrazol-5-yl)benzoate
  • 4-(2-Methyl-2H-pyrazol-3-yl)-benzoic acid methyl ester
  • methyl 4-(2-methylpyrazol-3-yl)benzoate
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