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CAS 1204580-90-4

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1H-Pyrazole-3-carboxylic acid, 5-[2-(methylamino)phenyl]-, methyl ester, hydrochloride (1:1)

Description:
1H-Pyrazole-3-carboxylic acid, 5-[2-(methylamino)phenyl]-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group and a methyl ester, indicating it has both acidic and ester functionalities. The presence of a methylamino group attached to a phenyl ring suggests potential for biological activity, possibly influencing its solubility and reactivity. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its utility in pharmaceutical applications. The compound's structure implies it may participate in various chemical reactions, including esterification and amine interactions. Its specific properties, such as melting point, boiling point, and spectral characteristics, would typically be determined through experimental methods. Overall, this compound may have relevance in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.
Formula:C12H13N3O2·ClH
InChI:InChI=1S/C12H13N3O2.ClH/c1-13-9-6-4-3-5-8(9)10-7-11(15-14-10)12(16)17-2;/h3-7,13H,1-2H3,(H,14,15);1H
InChI key:InChIKey=NXBDZJIJXBYEBR-UHFFFAOYSA-N
SMILES:N(C)C1=C(C=CC=C1)C2=CC(C(OC)=O)=NN2.Cl
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 5-[2-(methylamino)phenyl]-, methyl ester, hydrochloride (1:1)
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