Cas no 1225882-74-5 (2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile)

2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile is a versatile pyrazole-based nitrile compound with applications in pharmaceutical and agrochemical synthesis. Its cyclopropyl and methyl-substituted pyrazole core provides structural rigidity, enhancing its utility as a key intermediate in the development of biologically active molecules. The acetonitrile moiety offers reactivity for further functionalization, enabling diverse derivatization pathways. This compound exhibits stability under standard handling conditions, facilitating its use in multi-step synthetic routes. Its well-defined molecular structure ensures consistent performance in heterocyclic chemistry, particularly in the construction of complex pharmacophores. The product is typically supplied in high purity, meeting the stringent requirements of research and industrial-scale applications.
2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile structure
1225882-74-5 structure
Product Name:2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile
CAS No:1225882-74-5
MF:C9H11N3
MW:161.203741312027
MDL:MFCD16301060
CID:4688889
PubChem ID:60136490
Update Time:2025-05-20

2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile
    • SBB073816
    • FCH1168007
    • 2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanenitrile
    • (5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile
    • MDL: MFCD16301060
    • Inchi: 1S/C9H11N3/c1-12-9(7-2-3-7)6-8(11-12)4-5-10/h6-7H,2-4H2,1H3
    • InChI Key: QFDIVXYYQNEJRT-UHFFFAOYSA-N
    • SMILES: N1(C)C(=CC(CC#N)=N1)C1CC1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 213
  • Topological Polar Surface Area: 41.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 329.3±27.0 °C at 760 mmHg
  • Flash Point: 153.0±23.7 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile Security Information

2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile Pricemore >>

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Additional information on 2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile

Compound CAS No. 1225882-74-5: 2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile

The compound CAS No. 1225882-74-5, also known as 2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile, is a highly specialized organic molecule with significant applications in the field of pharmaceutical chemistry and materials science. This compound has garnered attention due to its unique structural properties and potential for use in drug development and advanced materials synthesis.

The molecular structure of 2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile consists of a pyrazole ring substituted with a cyclopropyl group and a methyl group, along with an acetonitrile moiety attached at the 3-position of the pyrazole ring. This configuration imparts the compound with distinct electronic and steric properties, making it an attractive candidate for various chemical reactions and applications.

Recent studies have highlighted the role of this compound in medicinal chemistry, particularly in the design of bioactive molecules with potential therapeutic applications. The pyrazole ring, a five-membered aromatic heterocycle, is known for its versatility in forming hydrogen bonds and participating in π–π interactions, which are crucial for drug-receptor interactions.

The acetonitrile group attached to the pyrazole ring further enhances the compound's solubility and reactivity, making it suitable for use in organic synthesis as an intermediate or building block for more complex molecules. Additionally, the cyclopropyl group introduces strain into the molecule, which can be exploited to induce specific reactivity patterns or to modulate physical properties such as melting point and boiling point.

In terms of synthesis, 2-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)acetonitrile can be prepared through various routes, including nucleophilic substitution, condensation reactions, or coupling methods. The choice of synthetic pathway depends on the availability of starting materials and the desired scale of production.

Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, reducing production costs and minimizing environmental impact. For instance, the use of transition metal catalysts has been reported to facilitate key steps in its synthesis, such as cyclization or cross-coupling reactions.

The physical properties of this compound are well-documented, with a molecular weight of approximately 206 g/mol and a melting point that falls within a range suitable for both solid-state characterization techniques and liquid-phase reactions. Its solubility in common organic solvents such as dichloromethane and acetonitrile makes it amenable to a wide range of chemical transformations.

In terms of applications, this compound has been explored as a potential precursor for drug candidates targeting various therapeutic areas, including oncology, inflammation, and infectious diseases. Its ability to act as a versatile building block allows chemists to modify its structure by introducing additional functional groups or substituents tailored to specific biological targets.

Moreover, recent research has focused on the use of this compound in materials science, particularly in the development of functional polymers or hybrid materials with tailored electronic properties. The integration of such molecules into polymer frameworks could lead to novel materials with applications in electronics or energy storage devices.

In conclusion, CAS No. 1225882-74 -the compound- represents a valuable addition to the arsenal of tools available to chemists for designing new molecules with diverse functionalities. Its unique structure, coupled with recent advances in synthetic methodologies and application areas, underscores its importance as both a research tool and an industrial material.

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