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CAS 113100-47-3

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

Description:
1-(1,1-Dimethylethyl)-3-methyl-1H-pyrazole-4-carboxylic acid, with the CAS number 113100-47-3, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a tert-butyl group (1,1-dimethylethyl) and a methyl group attached to the pyrazole ring, contributing to its unique properties. The presence of a carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may exhibit acidic behavior. This compound is often studied for its potential applications in agricultural chemistry, particularly as a herbicide or plant growth regulator, due to its ability to interact with specific biological pathways in plants. Its molecular structure allows for various interactions, making it a subject of interest in medicinal chemistry and agrochemical research. Additionally, the compound's stability and solubility characteristics can vary based on environmental conditions, influencing its efficacy and application in practical scenarios.
Formula:C9H14N2O2
InChI:InChI=1S/C9H14N2O2/c1-6-7(8(12)13)5-11(10-6)9(2,3)4/h5H,1-4H3,(H,12,13)
InChI key:InChIKey=YKVWUVSWHUEXMJ-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1C=C(C(O)=O)C(C)=N1
Synonyms:
  • 1-(1,1-Dimethylethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
  • 1-tert-Butyl-3-methyl-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-
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