CAS 1001518-81-5: 4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole-1-acetic acid

Description: 4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole-1-acetic acid is a chemical compound characterized by its unique pyrazole structure, which includes a bromine atom and a difluoromethyl group. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of the bromine and difluoromethyl substituents enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The compound's molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly in the development of herbicides or anti-inflammatory agents. Its specific interactions and stability can be influenced by environmental factors such as pH and temperature. Additionally, the compound's synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry for verification of its structure. As with many pyrazole derivatives, it may exhibit interesting pharmacological properties, warranting further investigation into its mechanism of action and potential therapeutic uses.

Formula: C₇H₇BrF₂N₂O₂

InChI: InChI=1S/C7H7BrF2N2O2/c1-3-5(8)6(7(9)10)11-12(3)2-4(13)14/h7H,2H2,1H3,(H,13,14)

InChI key: InChIKey=PLNMVFPXKXTLEA-UHFFFAOYSA-N

SMILES: O=C(O)CN1N=C(C(Br)=C1C)C(F)F

Synonyms:

• 4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole-1-acetic acid
• 1H-Pyrazole-1-acetic acid, 4-bromo-3-(difluoromethyl)-5-methyl-

[4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid

CAS: 1001518-81-5

• Molecular weight: 269.04g/mol

2-[4-Bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid

CAS: 1001518-81-5

Versatile small molecule scaffold

• Formula: C₇H₇BrF₂N₂O₂
• Purity: Min. 95%
• Molecular weight: 269.04 g/mol

(4-Bromo-3-difluoromethyl-5-methyl-pyrazol-1-yl)-acetic acid

CAS: 1001518-81-5

• Purity: 95.0%
• Molecular weight: 269.0459899902344