Cas no 1341728-05-9 (1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one)

1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one is a pyrazole-based organic compound featuring a butyl substituent at the 1-position and an acetyl group at the 4-position of the pyrazole ring. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals, agrochemicals, and specialty chemicals. The compound's well-defined reactivity profile allows for selective functionalization, making it valuable in heterocyclic chemistry and drug discovery. Its stability under standard conditions ensures reliable handling and storage. The presence of both hydrophobic (butyl) and carbonyl (acetyl) groups enhances its utility in designing molecules with tailored physicochemical properties. Suitable for controlled reactions, it offers consistent performance in multi-step synthetic pathways.
1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one structure
1341728-05-9 structure
Product Name:1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one
CAS No:1341728-05-9
MF:C9H14N2O
MW:166.220262050629
CID:4779301
Update Time:2025-10-28

1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(1-butyl-1H-pyrazol-4-yl)ethan-1-one
    • 1-(1-butylpyrazol-4-yl)ethanone
    • 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one
    • Inchi: 1S/C9H14N2O/c1-3-4-5-11-7-9(6-10-11)8(2)12/h6-7H,3-5H2,1-2H3
    • InChI Key: RUBBRALWZJWXKM-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=NN(C=1)CCCC

Computed Properties

  • Exact Mass: 166.110613074 g/mol
  • Monoisotopic Mass: 166.110613074 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 159
  • 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: 166.22
  • XLogP3: 1.1
  • Topological Polar Surface Area: 34.9

1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one Pricemore >>

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Additional information on 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one

Professional Introduction to 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one (CAS No. 1341728-05-9)

1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one is a significant compound in the realm of pharmaceutical chemistry, characterized by its unique structural and functional attributes. This compound, identified by the CAS number 1341728-05-9, has garnered attention due to its potential applications in drug development and biochemical research. The molecular structure of this compound incorporates a butyl group and a pyrazole moiety, which are key features that contribute to its distinctive chemical properties and reactivity.

The butyl group in 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one introduces a certain degree of lipophilicity, making the compound more soluble in organic solvents. This property is particularly advantageous in pharmaceutical formulations where solubility is a critical factor for drug delivery. Additionally, the pyrazole ring is known for its versatility in medicinal chemistry, often serving as a scaffold for bioactive molecules. The presence of this ring in the compound suggests potential interactions with biological targets, making it a valuable candidate for further investigation.

In recent years, there has been a surge in research focused on developing novel therapeutic agents with improved efficacy and reduced side effects. Compounds like 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one are being explored for their potential role in treating various diseases. For instance, studies have indicated that pyrazole derivatives can exhibit anti-inflammatory, antimicrobial, and anti-cancer properties. The specific arrangement of atoms in this compound may contribute to these effects by modulating biological pathways.

The synthesis of 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one involves multi-step organic reactions, typically starting from readily available precursors such as butylamine and 4-methylpyrazole. The reaction sequence often includes condensation and cyclization steps to form the desired pyrazole ring structure. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the final product meets the stringent requirements of pharmaceutical research.

The pharmacological activity of this compound has been a subject of intense study. Researchers have been particularly interested in its interaction with enzymes and receptors relevant to human health. Preliminary findings suggest that 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one may inhibit certain enzymes involved in inflammation and oxidative stress, thereby offering therapeutic benefits. These findings are supported by computational modeling studies that predict favorable binding affinities between the compound and target proteins.

In addition to its pharmacological potential, the compound has shown promise in biochemical assays. Its ability to modulate specific signaling pathways has been observed in cell culture experiments, indicating its potential as an intermediate in drug discovery programs. The combination of structural flexibility provided by the butyl group and the electronic properties of the pyrazole ring makes this compound a versatile tool for medicinal chemists.

The analytical characterization of 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one has been conducted using various spectroscopic techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy. These analyses have confirmed the molecular structure and purity of the compound, providing essential data for further studies. High-performance liquid chromatography (HPLC) has also been utilized to assess the compound's stability and degradation products under different conditions.

The future prospects of 1-(1-Butyl-1H-pyrazol-4-yl)ethan-1-one in pharmaceutical research are promising. Ongoing studies aim to explore its mechanism of action in detail and to identify potential therapeutic applications. Collaborative efforts between academic institutions and pharmaceutical companies are likely to accelerate the development of new drugs based on this compound or its derivatives. The integration of computational chemistry with experimental techniques will further enhance our understanding of its properties and potential uses.

In conclusion, 1-(1-butyl)-pyrazole ketone (CAS No. 1341728) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential biological activities. The combination of a butyl group and a pyrazole ring endows this compound with distinctive chemical properties that make it a valuable candidate for drug development. As research continues to uncover new applications for this molecule, it is poised to play a crucial role in addressing various health challenges.

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