Cas no 1006960-35-5 (5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE)

5-Fluoro-2-(1H-pyrazol-1-yl)aniline is a fluorinated aniline derivative featuring a pyrazole substituent, which enhances its utility as a versatile intermediate in organic synthesis and pharmaceutical applications. The presence of both fluorine and the pyrazole moiety contributes to its reactivity, enabling selective functionalization in cross-coupling reactions and heterocyclic scaffold construction. Its structural properties make it valuable for designing biologically active compounds, particularly in medicinal chemistry for targeting specific receptors or enzymes. The compound exhibits stability under standard handling conditions while offering tunable electronic and steric effects, facilitating its use in the development of novel agrochemicals, pharmaceuticals, and specialty materials.
5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE structure
1006960-35-5 structure
Product Name:5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE
CAS No:1006960-35-5
MF:C9H8FN3
MW:177.178324699402
CID:3060755
PubChem ID:19627113
Update Time:2025-05-28

5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE Chemical and Physical Properties

Names and Identifiers

    • 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE
    • GQB96035
    • SCHEMBL21894119
    • CS-0217216
    • MFCD08699509
    • 5-fluoro-2-pyrazol-1-ylaniline
    • STK352815
    • EN300-71322
    • AKOS000222349
    • 5-fluoro-2-pyrazol-1-yl-aniline
    • AS-42659
    • 1006960-35-5
    • 1431966-24-3
    • [5-fluoro-2-(1H-pyrazol-1-yl)phenyl]amine
    • Inchi: 1S/C9H8FN3/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H,11H2
    • InChI Key: RQDVVPYFPNQSLV-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(C=1)N)N1C=CC=N1

Computed Properties

  • Exact Mass: 177.070225g/mol
  • Monoisotopic Mass: 177.070225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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
  • Molecular Weight: 177.18g/mol
  • XLogP3: 1.3
  • Topological Polar Surface Area: 43.8?2

5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE Pricemore >>

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Additional information on 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE

Comprehensive Overview of 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE (CAS No. 1006960-35-5): Properties, Applications, and Research Insights

5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE (CAS No. 1006960-35-5) is a fluorinated aromatic compound featuring a pyrazole moiety, which has garnered significant attention in pharmaceutical and agrochemical research. This compound is part of a growing class of heterocyclic aniline derivatives known for their versatility in drug discovery and material science. Its unique structure, combining a fluorine substituent with a pyrazole ring, makes it a valuable intermediate for synthesizing bioactive molecules.

Recent studies highlight the role of 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE in the development of kinase inhibitors, a hot topic in oncology research. Kinases are critical targets for cancer therapy, and fluorinated compounds like this one are often explored for their enhanced binding affinity and metabolic stability. Researchers are also investigating its potential in central nervous system (CNS) drug design, leveraging the fluorine atom's ability to improve blood-brain barrier penetration.

From a synthetic chemistry perspective, CAS No. 1006960-35-5 serves as a building block for cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are pivotal in constructing complex molecules for high-throughput screening libraries, a trend aligned with the pharmaceutical industry's push for accelerated drug discovery. The compound's stability under various reaction conditions further enhances its utility.

Environmental and regulatory considerations are increasingly shaping the demand for fluorinated intermediates. With the rise of green chemistry initiatives, researchers are evaluating the ecological footprint of compounds like 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE. Its potential for biodegradability and low toxicity profiles aligns with the industry's shift toward sustainable practices, making it a subject of interest in eco-friendly synthesis methodologies.

In material science, this compound's electron-withdrawing properties due to the fluorine atom have sparked exploration in organic electronics, including OLEDs and photovoltaic cells. The pyrazole ring's ability to coordinate with metals also opens avenues in catalysis and coordination polymers, areas gaining traction in renewable energy applications.

Frequently asked questions about 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE include inquiries about its solubility (notably in polar aprotic solvents like DMSO), storage conditions (recommended at 2–8°C under inert atmosphere), and handling precautions (standard laboratory PPE suffices). These practical details are critical for researchers sourcing the compound for experimental workflows.

As the scientific community continues to explore structure-activity relationships (SAR), 5-FLUORO-2-(1H-PYRAZOL-1-YL)ANILINE remains a focal point for optimizing bioisosteric replacements in medicinal chemistry. Its compatibility with late-stage functionalization techniques further positions it as a key player in fragment-based drug design, a strategy dominating contemporary hit-to-lead optimization pipelines.

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