CAS 1001754-77-3

5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid

Description:

5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid is a chemical compound characterized by its unique pyrazole structure, which includes a methyl group, a nitro group, and a trifluoromethyl group. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The nitro group can serve as a site for further chemical modifications, while the methyl group can affect the steric and electronic properties of the molecule. This compound is typically synthesized through multi-step organic reactions and may be utilized in various applications, including agrochemicals and medicinal chemistry. Its specific properties, such as solubility, melting point, and stability, would depend on the conditions under which it is handled and stored. As with many pyrazole derivatives, it may exhibit interesting biological activities, warranting further investigation in drug development and related fields.

Formula: C₇H₆F₃N₃O₄

InChI: InChI=1S/C7H6F3N3O4/c1-3-5(13(16)17)6(7(8,9)10)11-12(3)2-4(14)15/h2H2,1H3,(H,14,15)

InChI key: InChIKey=YUTXBJXNUVCBNP-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(C(F)(F)F)=NN(CC(O)=O)C1C

Synonyms:

• 1H-Pyrazole-1-acetic acid, 5-methyl-4-nitro-3-(trifluoromethyl)-
• 5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid

[5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

CAS: 1001754-77-3

[5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

Purity: 95%

Molecular weight: 253.14g/mol

Ref: 54-PC410295

2-[5-Methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

CAS: 1001754-77-3

Versatile small molecule scaffold

Formula: C₇H₆F₃N₃O₄

Purity: Min. 95%

Molecular weight: 253.14 g/mol

Ref: 3D-BQB75477