CAS 52126-51-9: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:1)

Description: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:1), with CAS number 52126-51-9, is a chemical compound characterized by its pyrazole core structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group and a sulfonic acid group, contributing to its solubility in water and potential applications in various fields, including pharmaceuticals and agrochemicals. The sodium salt form indicates that it is likely used in a soluble form, enhancing its bioavailability. The presence of the sulfonophenyl group may impart specific electronic and steric properties, influencing its reactivity and interaction with biological targets. This compound may exhibit acidic properties due to the carboxylic acid group, and its structure suggests potential for hydrogen bonding and coordination with metal ions. Overall, its unique structural features make it a candidate for further research in medicinal chemistry and related applications.

Formula: C₁₀H₈N₂O₆S·Na

InChI: InChI=1S/C10H8N2O6S.Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;/h1-4H,5H2,(H,14,15)(H,16,17,18);

InChI key: InChIKey=GAPXKZLRPJFAKS-UHFFFAOYSA-N

SMILES: [Na].O=C(O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, monosodium salt
• 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:1)
• 3-Carboxy-1-(4-sulfophenyl)-5-pyrazolone sodium salt
• Sodium 1-(4-sulfophenyl)-5-pyrazolone-3-carboxylate
• sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

3-Carboxy-1-(4-sulfophenyl)-5-pyrazolone Sodium Salt

CAS: 52126-51-9

• Formula: C₁₀H₇N₂NaO₆S
• Purity: >98.0%(T)(HPLC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 306.22

Sodium 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate

CAS: 52126-51-9

• Formula: C₁₀H₇N₂NaO₆S
• Purity: %
• Color and Shape: Solid
• Molecular weight: 306.22715

3-Carboxy-1-(4-sulfophenyl)-5-pyrazolone Sodium Salt

CAS: 52126-51-9

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• Formula: C₁₀H₇N₂NaO₆S
• Purity: Min. 95%
• Molecular weight: 306.23 g/mol