Cas no 1003011-27-5 (2-(3-Nitro-1H-pyrazol-1-yl)acetamide)

2-(3-Nitro-1H-pyrazol-1-yl)acetamide is a nitro-substituted pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a reactive nitro group and an acetamide moiety, making it a versatile intermediate for synthesizing biologically active compounds. The compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined molecular architecture allows for precise modifications, enabling the development of targeted molecules in medicinal chemistry. The nitro group enhances electrophilic reactivity, supporting further functionalization. This compound is particularly valuable in the exploration of novel heterocyclic frameworks, offering researchers a reliable building block for drug discovery and material science applications.
2-(3-Nitro-1H-pyrazol-1-yl)acetamide structure
1003011-27-5 structure
Product Name:2-(3-Nitro-1H-pyrazol-1-yl)acetamide
CAS No:1003011-27-5
MF:C5H6N4O3
MW:170.126140117645
MDL:MFCD01622830
CID:1077489
PubChem ID:40176586
Update Time:2025-06-08

2-(3-Nitro-1H-pyrazol-1-yl)acetamide Chemical and Physical Properties

Names and Identifiers

    • 2-(3-Nitro-1H-pyrazol-1-yl)acetamide
    • 1H-pyrazole-1-acetamide, 3-nitro-
    • MFCD01622830
    • 2-(3-nitropyrazol-1-yl)acetamide
    • CS-0207748
    • EN300-43783
    • LS-05954
    • STL163947
    • G32927
    • Z444875136
    • SCHEMBL1860255
    • 1003011-27-5
    • 2-(3-nitro-pyrazol-1-yl)-acetamide
    • AKOS002657215
    • ALBB-018024
    • KXXJNFRHZOLKOE-UHFFFAOYSA-N
    • AB00998912-01
    • MDL: MFCD01622830
    • Inchi: 1S/C5H6N4O3/c6-4(10)3-8-2-1-5(7-8)9(11)12/h1-2H,3H2,(H2,6,10)
    • InChI Key: KXXJNFRHZOLKOE-UHFFFAOYSA-N
    • SMILES: O=C(CN1C=CC([N+](=O)[O-])=N1)N

Computed Properties

  • Exact Mass: 170.04399007g/mol
  • Monoisotopic Mass: 170.04399007g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 201
  • 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: -0.6
  • Topological Polar Surface Area: 107?2

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Additional information on 2-(3-Nitro-1H-pyrazol-1-yl)acetamide

Introduction to 2-(3-Nitro-1H-pyrazol-1-yl)acetamide (CAS No. 1003011-27-5)

2-(3-Nitro-1H-pyrazol-1-yl)acetamide is a significant compound in the realm of pharmaceutical chemistry, characterized by its molecular formula and a well-defined structure that lends itself to diverse applications in medicinal research. This compound, identified by the CAS number 1003011-27-5, has garnered attention due to its structural features and potential biological activities. The presence of a nitro group and a pyrazole moiety in its molecular framework suggests a rich chemical reactivity, making it a valuable scaffold for further derivatization and exploration.

The nitro group in 2-(3-Nitro-1H-pyrazol-1-yl)acetamide is a key functional moiety that can participate in various chemical transformations, including reduction to an amine or nucleophilic substitution reactions. This reactivity is particularly useful in the synthesis of more complex molecules, where the nitro group can serve as an intermediate for introducing additional functionalities. The pyrazole ring, on the other hand, is known for its stability and versatility in medicinal chemistry, often serving as a core structure in bioactive molecules.

Recent advancements in pharmaceutical research have highlighted the importance of heterocyclic compounds like pyrazole derivatives in drug discovery. The acetamide moiety in 2-(3-Nitro-1H-pyrazol-1-yl)acetamide not only contributes to the compound's solubility but also provides a site for further functionalization. This makes it an attractive candidate for developing novel therapeutic agents targeting various diseases.

In the context of current research, 2-(3-Nitro-1H-pyrazol-1-yl)acetamide has been investigated for its potential biological activities. Studies have shown that nitro-substituted pyrazole derivatives exhibit a range of pharmacological effects, including anti-inflammatory, antimicrobial, and anticancer properties. The nitro group's ability to undergo redox reactions allows for the generation of reactive species that can interact with biological targets, potentially leading to therapeutic effects.

The synthesis of 2-(3-Nitro-1H-pyrazol-1-yl)acetamide involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include the condensation of 3-nitropyrazole with acetic anhydride or acetyl chloride, followed by purification steps such as recrystallization or column chromatography. Advanced techniques like catalytic hydrogenation may also be employed to modify the nitro group into other functional forms.

One of the most compelling aspects of 2-(3-Nitro-1H-pyrazol-1-yl)acetamide is its potential as a lead compound for drug development. Researchers have leveraged its structural features to design derivatives with enhanced biological activity and improved pharmacokinetic properties. For instance, modifications at the nitro group or the pyrazole ring can fine-tune the compound's interactions with biological targets, leading to more effective therapeutic outcomes.

The role of computational chemistry in studying 2-(3-Nitro-1H-pyrazol-1-yl)acetamide cannot be overstated. Molecular modeling techniques allow researchers to predict the compound's behavior in different environments and understand its mechanism of action at a molecular level. These insights are crucial for optimizing synthetic routes and designing experiments that maximize yield and efficacy.

Furthermore, the environmental impact of synthesizing and handling 2-(3-Nitro-1H-pyrazol-1-yl)acetamide is an important consideration. Green chemistry principles are being increasingly applied to develop more sustainable synthetic methods that minimize waste and reduce energy consumption. For example, solvent-free reactions or catalytic processes can significantly improve the efficiency of producing this compound.

In conclusion, 2-(3-Nitro-1H-pyrazol-1-yl)acetamide (CAS No. 1003011-27-5) represents a promising area of research in pharmaceutical chemistry. Its unique structural features and potential biological activities make it a valuable candidate for further exploration and development. As research continues to advance, new applications and derivatives of this compound are likely to emerge, contributing to the broader landscape of medicinal chemistry.

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