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CAS 128537-60-0

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4-Bromo-1-(1,1-dimethylethyl)-3-methyl-1H-pyrazole-5-carboxylic acid

Description:
4-Bromo-1-(1,1-dimethylethyl)-3-methyl-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. The presence of a bromine atom at the 4-position and a tert-butyl group at the 1-position contributes to its unique properties, including increased lipophilicity and potential biological activity. The carboxylic acid functional group at the 5-position is significant for its reactivity and solubility in polar solvents. This compound is often studied for its potential applications in pharmaceuticals and agrochemicals, particularly due to its ability to interact with biological targets. Its molecular structure suggests it may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Additionally, the presence of multiple functional groups allows for further derivatization, which can enhance its efficacy or alter its properties for specific applications. Safety and handling precautions should be observed, as with any chemical substance, due to potential toxicity or reactivity.
Formula:C9H13BrN2O2
InChI:InChI=1S/C9H13BrN2O2/c1-5-6(10)7(8(13)14)12(11-5)9(2,3)4/h1-4H3,(H,13,14)
InChI key:InChIKey=NFYDYPPBOBZBRB-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1N(C(C)(C)C)N=C(C)C1Br
Synonyms:
  • 4-Bromo-1-(1,1-dimethylethyl)-3-methyl-1H-pyrazole-5-carboxylic acid
  • 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-(1,1-dimethylethyl)-3-methyl-
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