Cas no 10199-64-1 (1-(1h-pyrazol-1-yl)ethanone)

1-(1H-Pyrazol-1-yl)ethanone is a heterocyclic compound featuring a pyrazole ring linked to an acetyl group. This structure imparts reactivity suitable for use as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its pyrazole moiety enables participation in various coupling and functionalization reactions, while the acetyl group offers a site for further derivatization. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined chemical properties make it valuable for constructing complex molecular architectures, including bioactive molecules. Researchers favor it for its consistent performance in nucleophilic substitution and condensation reactions, contributing to efficient synthetic pathways.
1-(1h-pyrazol-1-yl)ethanone structure
1-(1h-pyrazol-1-yl)ethanone structure
Product Name:1-(1h-pyrazol-1-yl)ethanone
CAS No:10199-64-1
MF:C5H6N2O
MW:110.11394071579
MDL:MFCD01336293
CID:48450
Update Time:2025-11-02

1-(1h-pyrazol-1-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(1h-pyrazol-1-yl)ethanone
    • 1-pyrazol-1-ylethanone
    • 1-Acetyl-1H-pyrazol
    • 1-Acetyl-1H-pyrazole
    • 1-acetyl-pyrazole
    • 1H-Pyrazole,1-acetyl
    • 1-Pyrazol-1-yl-ethanone
    • acetyl pyrazole
    • N-acetylpyrazole
    • 1H-Pyrazole,1-acetyl- (9CI)
    • Pyrazole, 1-acetyl- (6CI,7CI,8CI)
    • 1-Acetylpyrazole
    • 1-H-pyrazol-1-yl-ethanone
    • REF DUPL: 1-H-pyrazol-1-yl-ethanone
    • MDL: MFCD01336293
    • Inchi: 1S/C5H6N2O/c1-5(8)7-4-2-3-6-7/h2-4H,1H3
    • InChI Key: PGFTUYZICNEFJQ-UHFFFAOYSA-N
    • SMILES: O=C(C)N1C=CC=N1

Computed Properties

  • Exact Mass: 110.04800
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1

Experimental Properties

  • Color/Form: Colorless to Yellow Liquid
  • PSA: 34.89000
  • LogP: 0.54320

1-(1h-pyrazol-1-yl)ethanone Security Information

1-(1h-pyrazol-1-yl)ethanone Pricemore >>

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Additional information on 1-(1h-pyrazol-1-yl)ethanone

1-(1H-Pyrazol-1-yl)ethanone (CAS No. 10199-64-1): Properties, Applications, and Market Insights

1-(1H-pyrazol-1-yl)ethanone, with the CAS number 10199-64-1, is a versatile organic compound that has garnered significant attention in the chemical and pharmaceutical industries. This compound, also known as pyrazolyl ethanone, belongs to the class of heterocyclic compounds, which are widely used in medicinal chemistry and material science. Its unique molecular structure, featuring a pyrazole ring attached to an acetyl group, makes it a valuable intermediate in the synthesis of various bioactive molecules.

The chemical properties of 1-(1H-pyrazol-1-yl)ethanone include a molecular formula of C5H6N2O and a molecular weight of 110.11 g/mol. It typically appears as a white to off-white crystalline powder, soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). The compound's stability under standard conditions and its reactivity with nucleophiles and electrophiles make it a preferred choice for organic synthesis and drug development.

One of the most prominent applications of 1-(1H-pyrazol-1-yl)ethanone is in the pharmaceutical industry, where it serves as a key building block for the synthesis of pyrazole derivatives. These derivatives are known for their diverse biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. Researchers are increasingly exploring its potential in designing novel therapeutic agents, especially in the context of targeted drug delivery and personalized medicine.

In addition to its pharmaceutical applications, 1-(1H-pyrazol-1-yl)ethanone is also utilized in the agrochemical sector. It acts as an intermediate in the production of crop protection agents and pesticides, contributing to enhanced agricultural productivity. The compound's ability to modulate biological pathways in pests and pathogens has made it a valuable tool in sustainable farming practices.

The market for 1-(1H-pyrazol-1-yl)ethanone is witnessing steady growth, driven by the increasing demand for heterocyclic compounds in various industries. According to recent market analyses, the global demand for pyrazole-based intermediates is expected to rise significantly in the coming years, with Asia-Pacific emerging as a key production and consumption hub. Factors such as advancements in green chemistry and the shift toward eco-friendly synthesis methods are further propelling market expansion.

From a research perspective, 1-(1H-pyrazol-1-yl)ethanone is often studied for its structure-activity relationships (SAR) and its role in molecular docking studies. Scientists are particularly interested in its potential to interact with biological targets, such as enzymes and receptors, which could lead to the discovery of new drug candidates. The compound's compatibility with high-throughput screening (HTS) techniques also makes it a valuable asset in modern drug discovery pipelines.

For those seeking high-quality 1-(1H-pyrazol-1-yl)ethanone, it is essential to source the compound from reputable suppliers who adhere to stringent quality control standards. The purity and stability of the compound are critical factors that can influence its performance in various applications. Additionally, researchers and manufacturers should stay updated on the latest regulatory guidelines to ensure compliance with international safety and environmental standards.

In conclusion, 1-(1H-pyrazol-1-yl)ethanone (CAS No. 10199-64-1) is a multifaceted compound with significant potential in pharmaceuticals, agrochemicals, and material science. Its unique chemical properties, coupled with its broad applicability, make it a subject of ongoing research and industrial interest. As the demand for heterocyclic intermediates continues to grow, this compound is poised to play a pivotal role in shaping the future of innovative chemical solutions.

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