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CAS 817172-32-0

:

5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid

Description:
5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a tert-butyl group (1,1-dimethylethyl) and a para-nitrophenyl substituent, contributing to its unique chemical properties. The presence of the carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit polar characteristics, influencing its solubility in various solvents. The nitro group is known for its electron-withdrawing properties, which can affect the reactivity of the compound in electrophilic aromatic substitution reactions. This compound may be of interest in medicinal chemistry and agrochemical applications due to its potential biological activity. Its molecular structure suggests that it could interact with biological targets, making it a candidate for further research in drug development or as a biochemical probe. Safety and handling precautions should be observed, as with all chemical substances, particularly those with nitro groups, which can be sensitive to reduction reactions.
Formula:C14H15N3O4
InChI:InChI=1S/C14H15N3O4/c1-14(2,3)12-8-11(13(18)19)15-16(12)9-4-6-10(7-5-9)17(20)21/h4-8H,1-3H3,(H,18,19)
InChI key:InChIKey=MFOFKFVQHJRCSW-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1N(N=C(C(O)=O)C1)C2=CC=C(N(=O)=O)C=C2
Synonyms:
  • 5-(1,1-Dimethylethyl)-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylic acid
  • 1H-Pyrazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-1-(4-nitrophenyl)-
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