Description

2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid (CAS: 345637-71-0) is a high-purity fluorinated pyrazole derivative with the molecular formula C₇H₇F₃N₂O₂. This compound features a reactive acetic acid moiety attached to a trifluoromethyl-substituted pyrazole ring, making it a versatile building block for pharmaceutical, agrochemical, and material science research. Its unique structure enables applications in medicinal chemistry as a precursor for bioactive molecules, particularly in the development of enzyme inhibitors and receptor modulators. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality allows for further derivatization via amidation, esterification, or conjugation. Supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), this compound is rigorously tested for identity (NMR, MS), purity, and consistency. Store under inert atmosphere at 2-8°C for optimal stability.

Properties

• CAS Number: 345637-71-0
• Complexity: 231
• IUPAC Name: 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
• InChI: InChI=1S/C7H7F3N2O2/c1-4-2-5(7(8,9)10)11-12(4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
• InChI Key: RBHQAIFXLJIFFM-UHFFFAOYSA-N
• Exact Mass: 208.04596196
• Molecular Formula: C7H7F3N2O2
• Molecular Weight: 208.14
• SMILES: CC1=CC(=NN1CC(=O)O)C(F)(F)F
• Topological: 55.1
• Monoisotopic Mass: 208.04596196
• Synonyms: 2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid, 2-[5-Methyl-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Acetic Acid, (5-methyl-3-trifluoromethylpyrazol-1-yl)acetic acid, 673-159-2, 345637-71-0, (5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid, 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid, [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid, MFCD00297315, 2-(3-(Trifluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid, 2-[5-methyl-3-(trifluoromethyl)pyrazolyl]acetic acid, 2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic Acid; 2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic Acid; 5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-acetic Acid; IN-WR 791; [5-Methyl-3-[trifluoromethyl]-1H-pyrazol-1-yl]acetic Acid, ChemDiv3_014142, SCHEMBL30417, 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-acetic acid, 1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, DTXSID90344349, 2-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid, HMS1513C18, ALBB-009760, BBL039461, SBB018087, STK348656, AKOS000301751, CCG-202861, FM54360, FS-1386, PB42600, IDI1_029940, SY063095, DB-032397, CS-0042820, EU-0099906, ST45142856, EN300-83477, Y10936, AG-690/09248015, SR-01000596958, SR-01000596958-1, (5-methyl-3-trifluoromethyl-pyrazol-1-yl)acetic acid, BRD-K28220557-001-02-0, 5-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid, F0850-6536, Z275146374, 2-[5-Methyl-3-(trifluoromethyl)-1-pyrazolyl]acetic Acid, Acetic acid, 2-(3-trifluoromethyl-5-methyl-1-pyrazolyl)-, [5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid #

Application

This fluorinated pyrazole-acetic acid derivative serves as a key intermediate in the synthesis of pharmacologically active compounds, particularly nonsteroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. Its trifluoromethyl group is leveraged to improve drug-like properties in medicinal chemistry campaigns. Researchers also utilize it as a ligand precursor in catalytic systems and as a monomer for specialty polymers with enhanced chemical resistance. In agrochemical development, it functions as a scaffold for novel herbicides and pesticides.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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