Cas no 1226436-61-8 (N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide)

N-(2,2,2-Trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide is a fluorinated pyrazole derivative with potential applications in medicinal chemistry and agrochemical research. Its structure combines a trifluoroethyl moiety with a substituted pyrazole ring, offering unique electronic and steric properties that may enhance binding affinity or metabolic stability in bioactive compounds. The trifluoroethyl group can influence lipophilicity and bioavailability, while the trimethylpyrazole core provides a rigid scaffold for molecular interactions. This compound may serve as a versatile intermediate in the synthesis of pharmaceuticals or crop protection agents, particularly where fluorine substitution is desirable for optimizing activity or physicochemical properties. Its well-defined structure allows for precise modifications in targeted drug discovery efforts.
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide structure
1226436-61-8 structure
Product Name:N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CAS No:1226436-61-8
MF:C11H16F3N3O
MW:263.259452819824
CID:5996707
PubChem ID:49670390
Update Time:2025-05-20

N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide Chemical and Physical Properties

Names and Identifiers

    • N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
    • N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
    • AKOS024519421
    • 1226436-61-8
    • F5806-0625
    • VU0521230-1
    • Inchi: 1S/C11H16F3N3O/c1-7-9(8(2)17(3)16-7)4-5-10(18)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,18)
    • InChI Key: NCRSZVXJPASNBK-UHFFFAOYSA-N
    • SMILES: C(NCC(F)(F)F)(=O)CCC1=C(C)N(C)N=C1C

Computed Properties

  • Exact Mass: 263.12454663g/mol
  • Monoisotopic Mass: 263.12454663g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 296
  • 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: 1.7
  • Topological Polar Surface Area: 46.9?2

N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide Pricemore >>

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N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide Related Literature

Additional information on N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide

Introduction to N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide (CAS No. 1226436-61-8)

N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide is a sophisticated organic compound that has garnered significant attention in the field of pharmaceutical chemistry due to its unique structural and functional properties. This compound, identified by the CAS number 1226436-61-8, represents a fusion of fluorinated aliphatic chains with a pyrazole heterocycle, making it a promising candidate for various applications in medicinal chemistry and drug development.

The molecular structure of N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide is characterized by the presence of a trifluoroethyl group and a trimethylpyrazole moiety. The trifluoroethyl group introduces fluorine atoms into the molecule, which can enhance metabolic stability and bioavailability. This feature is particularly valuable in drug design, as fluorine substitution often improves pharmacokinetic profiles. On the other hand, the trimethylpyrazole ring contributes to the compound's binding affinity and selectivity towards biological targets.

In recent years, there has been a growing interest in developing novel compounds that incorporate fluorinated structures due to their ability to modulate biological activity. The trifluoroethyl group in N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide is known to influence the electronic properties of adjacent functional groups, thereby affecting the compound's reactivity and interaction with biological systems. This has led to its exploration in various therapeutic areas, including anti-inflammatory and anticancer applications.

The pyrazole ring in this compound is a well-known pharmacophore that is frequently found in biologically active molecules. Pyrazoles have been extensively studied for their potential as scaffolds in drug discovery due to their ability to engage with multiple biological targets. The trimethyl substitution on the pyrazole ring further enhances its binding interactions by increasing lipophilicity and reducing polarity. This makes N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide an intriguing candidate for further investigation.

Recent studies have highlighted the role of N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide in modulating enzyme activity and receptor binding. For instance, research has demonstrated its potential as an inhibitor of certain kinases and other enzymes involved in cancer progression. The fluorinated aliphatic chain enhances the compound's ability to penetrate cell membranes and interact with intracellular targets. Additionally, the trimethylpyrazole moiety contributes to its specificity by forming hydrogen bonds and hydrophobic interactions with key residues on the target proteins.

The synthesis of N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide involves multi-step organic reactions that require precise control over reaction conditions. The introduction of the trifluoroethyl group typically involves fluorination reactions or the use of trifluoromethanol derivatives as starting materials. The subsequent coupling of the pyrazole ring requires careful selection of reagents to ensure high yield and purity. Advances in synthetic methodologies have made it possible to produce this compound more efficiently and on larger scales.

In conclusion, N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential biological activities. The combination of a trifluoroethyl group and a trimethylpyrazole ring makes it a versatile molecule that can be explored for various therapeutic applications. Further research is warranted to fully elucidate its mechanisms of action and therapeutic potential.

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