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CAS 116344-33-3

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1-Methyl-5-(phenylmethyl)-1H-pyrazole-4-carboxylic acid

Description:
1-Methyl-5-(phenylmethyl)-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl group at the 1-position and a phenylmethyl group at the 5-position, contributing to its unique properties. The presence of a carboxylic acid functional group at the 4-position enhances its acidity and reactivity, making it a potential candidate for various chemical reactions and applications. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid group. The compound's structure suggests potential biological activity, which could be explored in pharmaceutical research. Additionally, its molecular interactions may be influenced by the substituents on the pyrazole ring, affecting its overall stability and reactivity. As with many organic compounds, safety data should be consulted for handling and storage, as well as potential environmental impacts.
Formula:C12H12N2O2
InChI:InChI=1S/C12H12N2O2/c1-14-11(10(8-13-14)12(15)16)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)
InChI key:InChIKey=XMXARGHDAOOJOB-UHFFFAOYSA-N
SMILES:C(C1=C(C(O)=O)C=NN1C)C2=CC=CC=C2
Synonyms:
  • 1-Methyl-5-(phenylmethyl)-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(phenylmethyl)-
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