Cas no 1006320-16-6 (3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine)

3-3-(Trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine is a fluorinated pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure incorporates a trifluoromethyl group, which enhances metabolic stability and lipophilicity, making it a valuable intermediate in drug discovery. The pyrazole moiety offers versatility for further functionalization, enabling the synthesis of biologically active compounds. This compound’s unique properties may contribute to improved binding affinity and selectivity in target interactions. Its well-defined chemical structure ensures reproducibility in synthetic pathways, supporting its use in the development of novel therapeutic agents or crop protection chemicals. Suitable for controlled laboratory use under standard safety protocols.
3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine structure
1006320-16-6 structure
Product Name:3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine
CAS No:1006320-16-6
MF:C9H14F3N3
MW:221.222772121429
MDL:MFCD06805065
CID:2621203
PubChem ID:19616726
Update Time:2025-06-12

3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine
    • GQB32016
    • EN300-230216
    • 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
    • 1006320-16-6
    • CS-0296010
    • AKOS000309009
    • CHEMBL3487100
    • BBL040276
    • STK350097
    • 3-(3-(Trifluoromethyl)-1h-pyrazol-1-yl)pentan-1-amine
    • 3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
    • MDL: MFCD06805065
    • Inchi: 1S/C9H14F3N3/c1-2-7(3-5-13)15-6-4-8(14-15)9(10,11)12/h4,6-7H,2-3,5,13H2,1H3
    • InChI Key: TZUIRHRAHGBQSK-UHFFFAOYSA-N
    • SMILES: FC(C1C=CN(C(CC)CCN)N=1)(F)F

Computed Properties

  • Exact Mass: 221.11398195Da
  • Monoisotopic Mass: 221.11398195Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 196
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 43.8?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 260.5±40.0 °C at 760 mmHg
  • Flash Point: 111.4±27.3 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine Security Information

3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine Pricemore >>

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Additional information on 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine

Introduction to 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine (CAS No. 1006320-16-6)

3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine, identified by its CAS number 1006320-16-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole class, which is renowned for its broad spectrum of biological activities and utility in drug development. The presence of a trifluoromethyl group and an amine functional group at the pentan chain terminus imparts unique chemical and pharmacological properties, making it a promising candidate for further exploration in therapeutic applications.

The molecular structure of 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine consists of a pyrazole ring linked to a pentanamine backbone, with the trifluoromethyl substituent enhancing its lipophilicity and metabolic stability. These structural features are critical in determining its interaction with biological targets, such as enzymes and receptors, which are pivotal in modulating physiological processes. The compound’s design reflects a deliberate approach to optimize pharmacokinetic profiles, including solubility, bioavailability, and target specificity.

In recent years, there has been growing interest in the development of novel scaffolds derived from pyrazole derivatives due to their versatility and efficacy. Pyrazole-based compounds have been extensively studied for their potential in treating various diseases, including inflammation, cancer, and infectious disorders. The incorporation of a trifluoromethyl group into the molecular framework is particularly noteworthy, as it has been shown to improve binding affinity and reduce metabolic degradation. This modification aligns with contemporary trends in drug design, where structural optimization is key to enhancing therapeutic outcomes.

Recent advancements in computational chemistry and high-throughput screening have facilitated the rapid identification of promising candidates like 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine. These methodologies allow researchers to predict biological activity with high accuracy, thereby accelerating the drug discovery process. The compound’s unique structural motifs make it an attractive starting point for designing molecules that can interact with multiple targets simultaneously—a strategy known as polypharmacology. Such an approach holds promise for addressing complex diseases that involve multiple pathological pathways.

The pharmacological profile of 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine has been preliminarily assessed through in vitro studies, which indicate potential interactions with enzymes and receptors relevant to human health. For instance, preliminary data suggest that this compound may exhibit inhibitory effects on certain kinases and other enzymes involved in cell signaling pathways. These findings are particularly intriguing given the well-documented roles of such enzymes in diseases like cancer and inflammatory disorders. Further investigation is warranted to elucidate the precise mechanisms of action and therapeutic potential.

The synthesis of 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine presents unique challenges due to the complexity of its molecular structure. However, advances in synthetic methodologies have made it increasingly feasible to construct such intricate molecules with high yield and purity. Techniques such as cross-coupling reactions, fluorochemical transformations, and automated synthesis platforms have played a crucial role in facilitating access to this compound. The ability to efficiently synthesize analogs will be instrumental in fine-tuning its pharmacological properties and expanding its therapeutic applications.

In conclusion, 3-3-(trifluoromethyl)-1H-pyrazol-1-ylpentan-1-amine (CAS No. 1006320-16-6) represents a significant advancement in the field of medicinal chemistry. Its unique structural features, combined with promising preclinical data, position it as a valuable candidate for further research and development. As our understanding of disease mechanisms continues to evolve, compounds like this one will play an increasingly important role in the discovery of novel therapeutics that address unmet medical needs.

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