Cas no 1003320-00-0 (2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid)

2-3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid is a fluorinated pyrazole derivative with notable applications in pharmaceutical and agrochemical research. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it a valuable intermediate in drug discovery. The pyrazole core offers versatile reactivity for further functionalization, while the acetic acid moiety allows for conjugation or salt formation, improving solubility. This compound is particularly useful in the synthesis of bioactive molecules, including enzyme inhibitors and receptor modulators, due to its structural rigidity and electronic properties. Its high purity and well-defined chemical characteristics ensure reproducibility in synthetic workflows. Suitable for controlled reactions, it is commonly employed in medicinal chemistry and crop protection studies.
2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid structure
1003320-00-0 structure
Product Name:2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid
CAS No:1003320-00-0
MF:C7H7F3N2O2
MW:208.137892007828
MDL:MFCD04967180
CID:3058187
PubChem ID:17024663
Update Time:2025-10-29

2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-acetic acid
    • 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid
    • 2-(3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid
    • STK312562
    • SCHEMBL17653946
    • EN300-228911
    • 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
    • 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
    • CS-0112675
    • 2-(5-(trifluoromethyl)-3-methyl-1H-pyrazol-1-yl)acetic acid
    • DB-099251
    • [3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
    • 1003320-00-0
    • AKOS000305945
    • [3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
    • BBL038793
    • AOZDTWHBSYCPSX-UHFFFAOYSA-N
    • D77111
    • 2-(3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
    • MFCD04967180
    • DQB32000
    • 960-037-1
    • MDL: MFCD04967180
    • Inchi: 1S/C7H7F3N2O2/c1-4-2-5(7(8,9)10)12(11-4)3-6(13)14/h2H,3H2,1H3,(H,13,14)
    • InChI Key: AOZDTWHBSYCPSX-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(C)=NN1CC(=O)O)(F)F

Computed Properties

  • Exact Mass: 208.04596196g/mol
  • Monoisotopic Mass: 208.04596196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 55.1?2

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Additional information on 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid

Introduction to 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid (CAS No. 1003320-00-0)

2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid, identified by the chemical identifier CAS No. 1003320-00-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound belongs to the pyrazole class, a heterocyclic structure known for its diverse biological activities and utility in medicinal chemistry. The presence of a methyl group at the 2-3 position and a trifluoromethyl group at the 5-position introduces unique electronic and steric properties, making it a valuable scaffold for drug discovery and development.

The pyrazol-1-ylacetic acid moiety in the molecular structure suggests potential interactions with biological targets such as enzymes and receptors, which are critical for modulating physiological processes. The trifluoromethyl group, in particular, is a common pharmacophore that enhances metabolic stability, lipophilicity, and binding affinity, thereby improving the pharmacokinetic properties of drug candidates. These features have positioned 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid as a promising intermediate in the synthesis of novel therapeutic agents.

In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting various disease pathways. The pyrazole scaffold has been extensively explored for its ability to interact with enzymes involved in inflammation, cancer, and metabolic disorders. For instance, studies have demonstrated the potential of pyrazole derivatives in inhibiting Janus kinases (JAKs), which play a crucial role in signal transduction pathways associated with autoimmune diseases. The compound 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid may serve as a key building block in designing next-generation JAK inhibitors with improved selectivity and efficacy.

Moreover, the trifluoromethyl substitution pattern is well-documented for its ability to enhance binding interactions at protein targets. This modification increases the compound's bioavailability and prolongs its duration of action, making it an attractive feature for drug development. Current research in medicinal chemistry emphasizes the synthesis of novel compounds with optimized pharmacological profiles, and 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid fits well within this paradigm.

One of the most compelling aspects of this compound is its versatility as a synthetic intermediate. The acetic acid moiety provides a reactive site for further functionalization, allowing chemists to tailor the molecule's properties for specific biological applications. Researchers have leveraged similar scaffolds to develop compounds with anti-inflammatory, antiviral, and anticancer properties. The structural features of 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid make it a candidate for further derivatization to explore new therapeutic modalities.

The pharmaceutical industry continues to invest heavily in discovering new active ingredients derived from natural or synthetic sources. Pyrazole-based compounds have shown promise in preclinical studies due to their ability to modulate key biological pathways without significant off-target effects. The introduction of fluorine atoms into these molecules enhances their interaction with biological targets while minimizing toxicity. This aligns with current trends in drug design, where safety and efficacy are paramount.

Recent advancements in computational chemistry have accelerated the process of identifying promising drug candidates. Virtual screening techniques allow researchers to predict the binding affinity of compounds like 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid to biological targets before synthesizing them in the lab. Such methodologies have reduced the time and cost associated with drug discovery, enabling faster development cycles.

In conclusion, 2-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid (CAS No. 1003320-00-0) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential biological activities. Its utility as a synthetic intermediate and its alignment with current trends in drug development make it a valuable asset for researchers aiming to develop novel therapeutic agents. As scientific understanding continues to evolve, compounds like this will play an increasingly important role in addressing unmet medical needs.

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