Cas no 1006461-11-5 (3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile)

3-3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile is a specialized organic compound featuring a pyrazole core substituted with a trifluoromethyl group and a nitrile-functionalized propyl chain. Its structural configuration imparts unique reactivity, making it valuable as an intermediate in agrochemical and pharmaceutical synthesis. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the nitrile moiety offers versatility for further functionalization. This compound is particularly useful in the development of active ingredients requiring selective binding or resistance to degradation. Its well-defined purity and consistent performance make it suitable for precision applications in research and industrial processes. Proper handling and storage are recommended to maintain stability.
3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile structure
1006461-11-5 structure
Product Name:3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile
CAS No:1006461-11-5
MF:C8H8F3N3
MW:203.16443157196
MDL:MFCD08558151
CID:2621200
PubChem ID:19616527
Update Time:2025-06-09

3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile
    • 1006461-11-5
    • GQB46111
    • EN300-230753
    • CHEMBL4970874
    • 2-[3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]ETHYL CYANIDE
    • 3-(3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)propanenitrile
    • BBL040688
    • CS-0240957
    • AKOS000313436
    • STK350865
    • 3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propanenitrile
    • 3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanenitrile
    • MDL: MFCD08558151
    • Inchi: 1S/C8H8F3N3/c1-6-5-7(8(9,10)11)14(13-6)4-2-3-12/h5H,2,4H2,1H3
    • InChI Key: ULNXSSWATIGXRM-UHFFFAOYSA-N
    • SMILES: FC(C1=CC(C)=NN1CCC#N)(F)F

Computed Properties

  • Exact Mass: 203.06703175g/mol
  • Monoisotopic Mass: 203.06703175g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 242
  • 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: 41.6?2

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3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile Related Literature

Additional information on 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile

3-3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile (CAS No. 1006461-11-5): An Overview

3-3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile (CAS No. 1006461-11-5) is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, including a trifluoromethyl group and a pyrazole ring, exhibits a range of biological activities that make it a valuable candidate for various applications.

The chemical structure of 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile is composed of a pyrazole ring substituted with a trifluoromethyl group and a nitrile functional group. The presence of these functional groups imparts specific chemical and biological properties to the molecule, making it an interesting subject for both academic and industrial research.

Recent studies have highlighted the potential of 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile in various therapeutic areas. One notable application is its use as an inhibitor of specific enzymes involved in metabolic pathways. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound effectively inhibits the activity of certain kinases, which are key enzymes in signal transduction pathways associated with cancer and inflammatory diseases.

In addition to its enzymatic inhibition properties, 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile has been investigated for its potential as an anti-inflammatory agent. Studies have demonstrated that this compound can reduce the production of pro-inflammatory cytokines, such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α), in both in vitro and in vivo models. This makes it a promising candidate for the development of new anti-inflammatory drugs.

The pharmacokinetic properties of 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile have also been studied extensively. Research has shown that this compound exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles, which are crucial for its potential use as a therapeutic agent. Its high oral bioavailability and low toxicity further enhance its suitability for drug development.

In the context of drug discovery, 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile has been used as a lead compound for the design and synthesis of novel derivatives with enhanced biological activities. Structure-based drug design approaches have led to the identification of several analogs with improved potency and selectivity against specific targets. These derivatives are currently being evaluated in preclinical studies to assess their therapeutic potential.

The environmental impact of 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile is another important aspect that has been considered in recent research. Studies have shown that this compound is biodegradable and does not persist in the environment, which is a significant advantage from an ecological perspective. Additionally, its low toxicity to non-target organisms further supports its use in pharmaceutical applications.

In conclusion, 3-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-ylpropanenitrile (CAS No. 1006461-11-5) is a versatile compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure, combined with its favorable biological and pharmacokinetic properties, makes it an attractive candidate for further development as a therapeutic agent. Ongoing research continues to uncover new insights into the mechanisms of action and potential uses of this compound, contributing to advancements in the field of drug discovery and development.

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