Cas no 1015845-94-9 (1-(3-Fluorobenzyl)-1H-pyrazol-5-amine)

1-(3-Fluorobenzyl)-1H-pyrazol-5-amine is a fluorinated pyrazole derivative with potential applications in pharmaceutical and agrochemical research. The presence of a fluorine atom at the 3-position of the benzyl group enhances its metabolic stability and bioavailability, making it a valuable intermediate in drug discovery. The pyrazole core offers versatility for further functionalization, enabling the synthesis of diverse bioactive compounds. This compound exhibits favorable physicochemical properties, including moderate solubility and stability under standard conditions, facilitating its use in synthetic workflows. Its structural features make it suitable for exploring kinase inhibitors, receptor modulators, and other therapeutic agents. High-purity grades are available for research applications.
1-(3-Fluorobenzyl)-1H-pyrazol-5-amine structure
1015845-94-9 structure
Product Name:1-(3-Fluorobenzyl)-1H-pyrazol-5-amine
CAS No:1015845-94-9
MF:C10H10FN3
MW:191.204905033112
MDL:MFCD08691578
CID:867305
Update Time:2026-04-29

1-(3-Fluorobenzyl)-1H-pyrazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine
    • 1-(3-fluorobenzyl)-1H-pyrazol-5-amine(SALTDATA: FREE)
    • 2-(3-fluoro-benzyl)-2H-pyrazol-3-ylamine
    • 2-[(3-fluorophenyl)methyl]pyrazol-3-amine
    • 2-(3-fluorobenzyl)-2H-pyrazol-3-ylamine
    • AG-D-08682
    • AGN-PC-015ZDG
    • Ambcb4014320
    • CTK3J9950
    • SureCN1460580
    • MDL: MFCD08691578
    • Inchi: InChI=1S/C10H10FN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2
    • InChI Key: VDDFCXBMNZEGCT-UHFFFAOYSA-N
    • SMILES: C1=CC(=CC(=C1)F)CN2C(=CC=N2)N

Computed Properties

  • Exact Mass: 191.08600
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 43.84000
  • LogP: 2.23390

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Additional information on 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine

Comprehensive Overview of 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine (CAS No. 1015845-94-9)

1-(3-Fluorobenzyl)-1H-pyrazol-5-amine (CAS No. 1015845-94-9) is a fluorinated pyrazole derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound belongs to the class of heterocyclic amines, which are widely studied for their diverse biological activities. The presence of a fluorobenzyl group at the 1-position and an amine group at the 5-position of the pyrazole ring makes it a versatile intermediate for drug discovery and material science applications.

The molecular structure of 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine features a pyrazole core, a five-membered aromatic ring with two nitrogen atoms. The 3-fluorobenzyl substituent enhances the compound's lipophilicity, potentially improving its bioavailability in drug formulations. Researchers have explored its utility in designing kinase inhibitors, antimicrobial agents, and central nervous system (CNS) modulators, aligning with current trends in precision medicine and targeted therapies.

In recent years, the demand for fluorinated organic compounds like 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine has surged due to their unique physicochemical properties. Fluorination often improves metabolic stability and binding affinity in drug candidates, making this compound a valuable building block in medicinal chemistry. Its applications extend to crop protection chemicals, where fluorinated pyrazoles are used to develop next-generation pesticides with enhanced efficacy and environmental safety.

The synthesis of 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine typically involves multi-step organic reactions, including N-alkylation of pyrazole derivatives with 3-fluorobenzyl halides. Advanced purification techniques such as column chromatography and recrystallization ensure high purity, which is critical for research and industrial applications. Analytical characterization via NMR spectroscopy, mass spectrometry, and HPLC confirms its structural integrity.

From a commercial perspective, 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine is supplied by specialized chemical manufacturers catering to the pharmaceutical and agrochemical sectors. Its market growth is driven by the rising investment in small-molecule drug development and sustainable agriculture. Regulatory compliance with REACH and FDA guidelines ensures its safe handling and usage in laboratories and production facilities.

Emerging research highlights the potential of 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine in cancer therapeutics, particularly as a scaffold for tyrosine kinase inhibitors. Its ability to modulate protein-protein interactions aligns with the growing interest in targeted cancer therapies. Additionally, its role in neuroprotective agents is being investigated, addressing global health challenges like neurodegenerative diseases.

For researchers and industry professionals, understanding the structure-activity relationship (SAR) of 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine is crucial. Computational tools like molecular docking and QSAR modeling are employed to predict its interactions with biological targets. These approaches accelerate the discovery of novel applications while reducing experimental costs.

In summary, 1-(3-Fluorobenzyl)-1H-pyrazol-5-amine (CAS No. 1015845-94-9) represents a promising compound at the intersection of medicinal chemistry and agrochemical innovation. Its fluorinated structure, synthetic versatility, and broad applicability position it as a key player in advancing life sciences and sustainable technologies. Future studies may unlock further potential in personalized medicine and green chemistry initiatives.

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