Cas no 1170522-30-1 (5-Nitro-1-propyl-1H-pyrazole)

5-Nitro-1-propyl-1H-pyrazole is a nitro-substituted pyrazole derivative with applications in pharmaceutical and agrochemical research. Its structure features a nitro group at the 5-position and a propyl substituent at the 1-position of the pyrazole ring, contributing to its reactivity and potential as an intermediate in synthetic chemistry. The compound is valued for its stability and versatility in heterocyclic synthesis, particularly in the development of bioactive molecules. Its well-defined chemical properties make it suitable for use in controlled reactions, including nucleophilic substitutions and catalytic transformations. Researchers utilize this compound for its consistent performance in constructing complex molecular frameworks.
5-Nitro-1-propyl-1H-pyrazole structure
5-Nitro-1-propyl-1H-pyrazole structure
Product Name:5-Nitro-1-propyl-1H-pyrazole
CAS No:1170522-30-1
MF:C6H9N3O2
MW:155.154560804367
MDL:MFCD09468158
CID:3158739
PubChem ID:25247434
Update Time:2025-05-20

5-Nitro-1-propyl-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 5-Nitro-1-propyl-1H-pyrazole
    • 1170522-30-1
    • 5-nitro-1-propylpyrazole
    • STK351585
    • AKOS005167514
    • AKOS015922078
    • 5-nitro-1-propyl-pyrazole
    • EN300-231239
    • CS-0441666
    • MDL: MFCD09468158
    • Inchi: 1S/C6H9N3O2/c1-2-5-8-6(9(10)11)3-4-7-8/h3-4H,2,5H2,1H3
    • InChI Key: DYVUOKAQZXKGML-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=NN1CCC)=O

Computed Properties

  • Exact Mass: 155.069476538Da
  • Monoisotopic Mass: 155.069476538Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 145
  • 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: 63.6?2

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Additional information on 5-Nitro-1-propyl-1H-pyrazole

5-Nitro-1-propyl-1H-pyrazole: A Comprehensive Overview

5-Nitro-1-propyl-1H-pyrazole, also known by its CAS number 1170522-30-1, is a heterocyclic organic compound with significant potential in various chemical and pharmaceutical applications. This compound belongs to the pyrazole family, which is a five-membered ring consisting of two adjacent nitrogen atoms and three carbon atoms. The presence of a nitro group at the 5-position and a propyl group at the 1-position introduces unique electronic and structural properties, making it an interesting subject for research and development.

The synthesis of 5-Nitro-1-propyl-1H-pyrazole typically involves multi-step reactions, often starting from simple precursors like aldehydes or ketones. Recent advancements in synthetic chemistry have enabled more efficient and selective methods for the preparation of this compound, reducing production costs and environmental impact. For instance, researchers have explored the use of microwave-assisted synthesis to accelerate reaction rates and improve yields.

5-Nitro-1-propyl-1H-pyrazole exhibits remarkable electronic properties due to the electron-withdrawing nitro group and the electron-donating propyl chain. These properties make it a valuable component in the development of new materials, such as organic semiconductors and sensors. In one recent study, scientists demonstrated that incorporating this compound into polymer blends significantly enhanced their electrical conductivity, suggesting its potential use in flexible electronics.

In the pharmaceutical industry, 5-Nitro-1-propyl-1H-pyrazole has shown promise as a lead compound for drug development. Its ability to interact with biological targets, such as enzymes and receptors, has been explored in various therapeutic areas, including anti-inflammatory and anticancer treatments. For example, researchers have reported that this compound exhibits potent inhibitory activity against cyclooxygenase (COX) enzymes, which are key players in inflammation.

The application of 5-Nitro-1-propyl-1H-pyrazole extends beyond traditional chemical and pharmaceutical fields. Recent studies have highlighted its potential in catalysis, where it serves as an effective ligand for metal catalysts in organic transformations. Its ability to stabilize metal centers under harsh reaction conditions makes it a valuable tool in asymmetric synthesis and industrial processes.

In terms of environmental applications, 5-Nitro-1-propyl-1H-pyrazole has been investigated for its role in pollution control technologies. For instance, it has been used as a component in advanced oxidation processes (AOPs) to degrade persistent organic pollutants (POPs) in water systems. Its high reactivity under UV light irradiation makes it an efficient oxidizing agent in these processes.

The versatility of 5-Nitro-1-propyl-1H-pyrazole is further underscored by its use in materials science applications such as polymer modification and nanotechnology. Researchers have successfully incorporated this compound into polymeric matrices to enhance their thermal stability and mechanical properties. Additionally, its ability to form stable nanoparticles has opened new avenues for drug delivery systems and imaging agents.

In conclusion, 5-Nitro-1-propyl-1H-pyrazole, with its unique chemical structure and versatile properties, continues to be a focal point for scientific exploration across multiple disciplines. From electronics to pharmaceuticals and environmental remediation, this compound offers immense potential for innovative solutions to real-world challenges.

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