Cas no 1239363-40-6 (1-Cyclopropyl-4-iodo-1H-pyrazole)

1-Cyclopropyl-4-iodo-1H-pyrazole is a heterocyclic compound featuring a pyrazole core substituted with a cyclopropyl group at the 1-position and an iodine atom at the 4-position. This structure makes it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura or Sonogashira couplings, where the iodine moiety serves as a reactive handle for further functionalization. The cyclopropyl group enhances steric and electronic properties, influencing reactivity and stability. This compound is useful in pharmaceutical and agrochemical research for constructing complex molecules. Its well-defined reactivity and compatibility with diverse reaction conditions make it a practical choice for synthetic applications.
1-Cyclopropyl-4-iodo-1H-pyrazole structure
1239363-40-6 structure
Product Name:1-Cyclopropyl-4-iodo-1H-pyrazole
CAS No:1239363-40-6
MF:C6H7IN2
MW:234.037653207779
MDL:MFCD22573364
CID:1038741
PubChem ID:57516618
Update Time:2025-10-21

1-Cyclopropyl-4-iodo-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-Cyclopropyl-4-iodo-1H-pyrazole
    • 1-cyclopropyl-4-iodopyrazole
    • AK100279
    • ANW-70391
    • CTK8C3675
    • KB-218797
    • SureCN670597
    • DS-3500
    • SY047810
    • 1239363-40-6
    • AKOS016002686
    • 1H-Pyrazole, 1-cyclopropyl-4-iodo-
    • SCHEMBL670597
    • EN300-3532316
    • AMY33218
    • JBWOMLVMUQFTFQ-UHFFFAOYSA-N
    • DTXSID70726987
    • A890633
    • CS-0037329
    • MFCD22573364
    • DA-13878
    • MDL: MFCD22573364
    • Inchi: 1S/C6H7IN2/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2
    • InChI Key: JBWOMLVMUQFTFQ-UHFFFAOYSA-N
    • SMILES: IC1C=NN(C=1)C1CC1

Computed Properties

  • Exact Mass: 233.96540 g/mol
  • Monoisotopic Mass: 233.96540 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 114
  • 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: 234.04
  • XLogP3: 1.3
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Boiling Point: 285.4±13.0℃ at 760 mmHg

1-Cyclopropyl-4-iodo-1H-pyrazole Pricemore >>

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1-Cyclopropyl-4-iodo-1H-pyrazole Related Literature

Additional information on 1-Cyclopropyl-4-iodo-1H-pyrazole

Introduction to 1-Cyclopropyl-4-iodo-1H-pyrazole (CAS No: 1239363-40-6)

1-Cyclopropyl-4-iodo-1H-pyrazole is a highly versatile heterocyclic compound that has garnered significant attention in the field of pharmaceutical and chemical research. With the CAS number 1239363-40-6, this compound serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly in the development of novel therapeutic agents. Its unique structural features, including a cyclopropyl group and an iodine substituent, make it an attractive scaffold for medicinal chemists seeking to design compounds with enhanced biological activity.

The cyclopropyl moiety in 1-Cyclopropyl-4-iodo-1H-pyrazole contributes to its stability and reactivity, allowing for facile functionalization at multiple positions. This property is particularly valuable in drug discovery, where structural modifications can significantly influence pharmacokinetic and pharmacodynamic profiles. The iodo substituent, on the other hand, provides a handle for further chemical transformations, such as cross-coupling reactions, which are widely employed in the synthesis of complex organic molecules.

Recent advancements in synthetic chemistry have highlighted the utility of 1-Cyclopropyl-4-iodo-1H-pyrazole in constructing intricate molecular architectures. For instance, studies have demonstrated its effectiveness as a precursor in the preparation of pyrazole derivatives with potential applications in oncology and anti-inflammatory therapies. The compound's ability to undergo palladium-catalyzed cross-coupling reactions has opened up new avenues for the development of small-molecule inhibitors targeting various disease pathways.

In the realm of medicinal chemistry, 1-Cyclopropyl-4-iodo-1H-pyrazole has been explored as a key building block for designing molecules with improved binding affinity and selectivity. Researchers have leveraged its structural framework to create novel analogs that exhibit promising activity against enzymes and receptors involved in metabolic disorders. The integration of computational methods and high-throughput screening has further accelerated the discovery process, enabling rapid optimization of lead compounds derived from this scaffold.

The chemical properties of 1-Cyclopropyl-4-iodo-1H-pyrazole also make it a valuable tool in materials science and agrochemical research. Its reactivity with transition metals has been exploited to develop functional materials with applications ranging from catalysis to luminescent devices. Additionally, derivatives of this compound have shown potential in crop protection strategies, offering new solutions for enhancing agricultural productivity while minimizing environmental impact.

Looking ahead, the continued exploration of 1-Cyclopropyl-4-iodo-1H-pyrazole is expected to yield further insights into its applications across multiple disciplines. The growing interest in sustainable chemistry has spurred efforts to develop greener synthetic routes for this compound, aligning with global initiatives to promote environmental responsibility. As our understanding of its reactivity and biological significance deepens, so too will its role as a cornerstone in modern chemical research.

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