CAS 222729-57-9: 4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid

Description: 4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a bromine atom at the 4-position and a 2-methylpropyl group at the 5-position contributes to its unique properties and reactivity. This compound features a carboxylic acid functional group at the 3-position, which imparts acidic characteristics and can participate in various chemical reactions, such as esterification or amidation. The molecular structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the presence of the bromine substituent, which can enhance biological activity. Additionally, the branched alkyl group may influence the compound's solubility and lipophilicity, affecting its behavior in biological systems. Overall, 4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid is a versatile compound with potential utility in various chemical and biological applications.

Formula: C₈H₁₁BrN₂O₂

InChI: InChI=1S/C8H11BrN2O2/c1-4(2)3-5-6(9)7(8(12)13)11-10-5/h4H,3H2,1-2H3,(H,10,11)(H,12,13)

InChI key: InChIKey=MKXAFJVHUHMBSO-UHFFFAOYSA-N

SMILES: O=C(O)C1=NNC(=C1Br)CC(C)C

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-(2-methylpropyl)-
• 4-Bromo-5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid

4-Bromo-5-isobutyl-1H-pyrazole-3-carboxylic acid

CAS: 222729-57-9

• Purity: 97%
• Molecular weight: 247.0919952392578

4-Bromo-3-isobutyl-1H-pyrazole-5-carboxylic acid

CAS: 222729-57-9

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• Formula: C₈H₁₁BrN₂O₂
• Purity: Min. 95%
• Molecular weight: 247.09 g/mol