CAS 1004727-49-4

1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

Description:

1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a nitro-substituted triazole moiety. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of carboxylic acid functionality. The nitro group contributes to its potential reactivity and may influence its biological activity, making it of interest in pharmaceutical research. The presence of both the triazole and pyrazole rings suggests potential applications in agrochemicals or medicinal chemistry, particularly in the development of new drugs or herbicides. Its molecular interactions may involve hydrogen bonding and π-π stacking due to the aromatic nature of the rings. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in its practical applications. Overall, this compound represents a unique class of heterocyclic compounds with diverse potential applications.

Formula: C₇H₆N₆O₄

InChI: InChI=1S/C7H6N6O4/c14-6(15)5-1-2-11(9-5)4-12-3-8-7(10-12)13(16)17/h1-3H,4H2,(H,14,15)

InChI key: InChIKey=QENUOBGKWZSZQI-UHFFFAOYSA-N

SMILES: C(N1N=C(C(O)=O)C=C1)N2N=C(N(=O)=O)N=C2

Synonyms:

• 1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-

1-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

CAS: 1004727-49-4

Versatile small molecule scaffold

Formula: C₇H₆N₆O₄

Purity: Min. 95%

Molecular weight: 238.16 g/mol

Ref: 3D-EQB72749