CAS 198348-95-7
:Methyl 1-nitro-1H-pyrazole-3-carboxylate
Description:
Methyl 1-nitro-1H-pyrazole-3-carboxylate 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 nitro group (-NO2) and a carboxylate ester group (-COOCH3) attached to the pyrazole ring, contributing to its reactivity and potential applications in various chemical reactions. It is typically a yellow to orange crystalline solid, and its molecular structure allows for various functional group transformations, making it useful in synthetic organic chemistry. The presence of the nitro group enhances its electrophilic character, which can be exploited in nucleophilic substitution reactions. Methyl 1-nitro-1H-pyrazole-3-carboxylate may also exhibit biological activity, making it of interest in medicinal chemistry. As with many nitro compounds, it is important to handle it with care due to potential toxicity and environmental concerns. Proper safety protocols should be followed when working with this substance in a laboratory setting.
Formula:C5H5N3O4
InChI:InChI=1S/C5H5N3O4/c1-12-5(9)4-2-3-7(6-4)8(10)11/h2-3H,1H3
InChI key:InChIKey=BDLVKJVQPGBRLE-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=NN(N(=O)=O)C=C1
Synonyms:- 1H-Pyrazole-3-carboxylic acid, 1-nitro-, methyl ester
- Methyl 1-nitro-1H-pyrazole-3-carboxylate
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