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CAS 61453-49-4

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1H-Pyrazole-3-carboxylic acid, 4-(hydroxymethyl)-, ethyl ester

Description:
1H-Pyrazole-3-carboxylic acid, 4-(hydroxymethyl)-, ethyl ester, with CAS number 61453-49-4, is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a carboxylic acid functional group and an ethyl ester moiety, contributing to its reactivity and solubility properties. The presence of the hydroxymethyl group at the 4-position enhances its potential for further chemical modifications and applications in various fields, including pharmaceuticals and agrochemicals. Typically, compounds of this nature exhibit moderate to high polarity due to the functional groups present, which can influence their solubility in polar solvents. Additionally, the compound may exhibit biological activity, making it of interest for research in medicinal chemistry. Its synthesis often involves multi-step organic reactions, and it can be characterized using techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity.
Formula:C7H10N2O3
InChI:InChI=1S/C7H10N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3,10H,2,4H2,1H3,(H,8,9)
InChI key:InChIKey=KVCPVHZCXJRNIZ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(CO)=CNN1
Synonyms:
  • 1H-Pyrazole-3-carboxylic acid, 4-(hydroxymethyl)-, ethyl ester
  • Ethyl 4-(hydroxymethyl)-1H-pyrazole-3-carboxylate
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