Cas no 1240568-16-4 (1-cyclopropyl-4-nitro-1H-pyrazole)

1-cyclopropyl-4-nitro-1H-pyrazole structure
1240568-16-4 structure
Product Name:1-cyclopropyl-4-nitro-1H-pyrazole
CAS No:1240568-16-4
MF:C6H7N3O2
MW:153.139
MDL:MFCD16810701
CID:2139110
PubChem ID:56604318
Update Time:2025-07-24

1-cyclopropyl-4-nitro-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-cyclopropyl-4-nitro-1H-pyrazole
    • CS-12774
    • MFCD16810701
    • XTOMBOSUZBTHTM-UHFFFAOYSA-N
    • SCHEMBL174612
    • 1240568-16-4
    • AC3320
    • AKOS027322163
    • 1-cyclopropyl-4-nitropyrazole
    • 1H-Pyrazole, 1-cyclopropyl-4-nitro-
    • SY224715
    • DB-312090
    • CS-0095971
    • MDL: MFCD16810701
    • Inchi: InChI=1S/C6H7N3O2/c10-9(11)6-3-7-8(4-6)5-1-2-5/h3-5H,1-2H2
    • InChI Key: XTOMBOSUZBTHTM-UHFFFAOYSA-N
    • SMILES: C1CC1N2C=C(C=N2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 153.053826475 g/mol
  • Monoisotopic Mass: 153.053826475 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 175
  • 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: 153.14
  • XLogP3: 0.5
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Boiling Point: 303.0±15.0℃/760mmHg

1-cyclopropyl-4-nitro-1H-pyrazole Pricemore >>

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Additional information on 1-cyclopropyl-4-nitro-1H-pyrazole

Comprehensive Overview of 1-cyclopropyl-4-nitro-1H-pyrazole (CAS No. 1240568-16-4): Properties, Applications, and Industry Insights

1-cyclopropyl-4-nitro-1H-pyrazole (CAS No. 1240568-16-4) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The molecule combines a pyrazole core with a cyclopropyl substituent and a nitro group, offering versatile reactivity for synthetic applications. This compound is frequently searched under terms like "1-cyclopropyl-4-nitro-1H-pyrazole synthesis", "CAS 1240568-16-4 applications", and "nitropyrazole derivatives in drug discovery", reflecting its relevance in modern chemistry.

Recent studies highlight the role of 1-cyclopropyl-4-nitro-1H-pyrazole as a key intermediate in the development of bioactive molecules. Its nitro group enables facile functionalization, making it valuable for constructing heterocyclic scaffolds in medicinal chemistry. Researchers are particularly interested in its potential to modulate enzyme inhibition, with queries such as "pyrazole-based kinase inhibitors" trending in scientific databases. The compound’s cyclopropyl moiety also contributes to metabolic stability, a hot topic in small-molecule drug design.

From an industrial perspective, CAS 1240568-16-4 is often discussed alongside green chemistry principles. Sustainable synthesis methods, including catalytic nitration and solvent-free reactions, are being explored to optimize its production. Environmental concerns have driven searches for "eco-friendly pyrazole synthesis", aligning with global trends toward reduced waste and energy efficiency. Analytical techniques like HPLC and NMR are critical for quality control, as emphasized in queries such as "1240568-16-4 purity analysis".

The compound’s stability under various conditions is another focal point. Discussions around "1-cyclopropyl-4-nitro-1H-pyrazole storage" and "thermal decomposition of nitropyrazoles" underscore the need for proper handling protocols. While not classified as hazardous, its nitroaromatic nature warrants careful consideration in large-scale applications. This aligns with broader industry questions about "safe handling of nitro-containing compounds".

In agrochemical innovation, 1-cyclopropyl-4-nitro-1H-pyrazole derivatives are investigated for their herbicidal and fungicidal properties. Searches for "pyrazole pesticides" and "nitroheterocycles in crop protection" reveal growing interest in this niche. The compound’s ability to disrupt microbial pathways positions it as a candidate for next-generation sustainable agrochemicals, a sector projected to expand amid climate change challenges.

Patent literature indicates rising commercial interest, with CAS 1240568-16-4 appearing in filings related to anticancer agents and anti-inflammatory drugs. This correlates with search trends like "pyrazole pharmacophores" and "nitro group bioisosteres". Its molecular flexibility allows for structural tweaks to enhance bioavailability or target selectivity—key priorities in precision medicine development.

To conclude, 1-cyclopropyl-4-nitro-1H-pyrazole exemplifies the intersection of fundamental research and applied science. Its multifaceted applications—from drug discovery to material science—ensure continued relevance. As synthetic methodologies advance and demand for tailored heterocycles grows, this compound will likely remain a staple in industrial and academic laboratories worldwide.

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