Description

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid (CAS No. 89831-40-3) is a high-purity heterocyclic organic compound with the molecular formula C₆H₈N₂O₂ and IUPAC name 4,5-dimethyl-1H-pyrazole-3-carboxylic acid. This white to off-white crystalline powder is an essential building block in pharmaceutical and agrochemical research, offering versatile reactivity due to its pyrazole core and carboxylic acid functional group. With a molecular weight of 140.14 g/mol, it is soluble in polar organic solvents such as methanol, ethanol, and DMSO. Our product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with comprehensive analytical documentation, including ¹H NMR, ¹³C NMR, and mass spectrometry data. Ideal for medicinal chemistry, this compound is particularly valuable in the synthesis of biologically active molecules, including potential kinase inhibitors and antimicrobial agents. Proper storage at 2-8°C in a tightly sealed container ensures long-term stability.

Properties

• CAS Number: 89831-40-3
• Complexity: 149
• IUPAC Name: 4,5-dimethyl-1H-pyrazole-3-carboxylic acid
• InChI: InChI=1S/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10)
• InChI Key: URZZLPLGTZFNST-UHFFFAOYSA-N
• Exact Mass: 140.058577502
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.14
• SMILES: CC1=C(NN=C1C(=O)O)C
• Topological: 66
• Monoisotopic Mass: 140.058577502
• Synonyms: 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid, 89831-40-3, DTXSID40349122, DTXCID60300194, 804-956-7, 4,5-dimethyl-1H-pyrazole-3-carboxylic acid, MFCD15143212, 3,4-dimethylpyrazole-5-carboxylic acid, SCHEMBL1754228, SCHEMBL4631308, SCHEMBL15824828, URZZLPLGTZFNST-UHFFFAOYSA-N, ALBB-014182, SBB083467, AKOS005169787, AKOS022667733, CS-W006059, SB39702, DA-01360, DS-15930, SY031874, EN300-78483, 1H-pyrazole-5-carboxylic acid, 3,4-dimethyl-, O11128, 3 pound not4-Dimethyl-1H-pyrazole-5-carboxylic acid, Z1868430510, InChI=1/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10

Application

3,4-Dimethyl-1H-pyrazole-5-carboxylic acid serves as a key intermediate in the development of pharmaceutical compounds, particularly in the synthesis of pyrazole-based drug candidates targeting inflammatory diseases. Researchers utilize this compound in heterocyclic chemistry to create novel analogs with potential antibacterial and antifungal properties. Its carboxylic acid moiety allows for further derivatization via amide coupling or esterification reactions, making it valuable for structure-activity relationship (SAR) studies in drug discovery pipelines.

Safety and Hazards

GHS Hazard Statements

• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• STOT SE 3 (66.7%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.