CAS 1004194-42-6

1-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

Description:

1-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its complex structure, which includes two pyrazole rings and a carboxylic acid functional group. The presence of the nitro and dimethyl substituents on the pyrazole ring contributes to its unique chemical properties, potentially influencing its reactivity and solubility. This compound is likely to exhibit acidic behavior due to the carboxylic acid group, which can donate protons in solution. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, particularly in the development of bioactive compounds. The compound's CAS number, 1004194-42-6, allows for precise identification and retrieval of information in chemical databases. Additionally, the presence of multiple functional groups may enable various synthetic modifications, making it a versatile building block in organic synthesis. Overall, this compound's characteristics make it of interest in both research and industrial applications.

Formula: C₁₀H₁₁N₅O₄

InChI: InChI=1S/C10H11N5O4/c1-6-9(15(18)19)7(2)14(11-6)5-13-4-3-8(12-13)10(16)17/h3-4H,5H2,1-2H3,(H,16,17)

InChI key: InChIKey=BNIINTVTTXLOGO-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)N(CN2N=C(C(O)=O)C=C2)N=C1C

Synonyms:

• 1-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-

1-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carboxylic acid

CAS: 1004194-42-6

Versatile small molecule scaffold

Formula: C₁₀H₁₁N₅O₄

Purity: Min. 95%

Molecular weight: 265.23 g/mol

Ref: 3D-EQB19442