Cas no 1328640-91-0 (methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate)

Methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate is a pyrazole-based ester compound with applications in pharmaceutical and agrochemical research. Its cyclopentyl substituent enhances lipophilicity, potentially improving membrane permeability in bioactive molecules. The carboxylate ester group offers versatility for further functionalization, such as hydrolysis to carboxylic acids or transesterification. This compound serves as a valuable intermediate in heterocyclic synthesis, particularly for developing pyrazole derivatives with tailored properties. Its stable crystalline form facilitates handling and storage under standard laboratory conditions. The structural features of this molecule make it suitable for exploring structure-activity relationships in medicinal chemistry programs targeting enzyme inhibition or receptor modulation.
methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate structure
1328640-91-0 structure
Product Name:methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate
CAS No:1328640-91-0
MF:C10H14N2O2
MW:194.230362415314
MDL:MFCD20491522
CID:3160466
PubChem ID:60136516
Update Time:2025-05-26

methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate
    • AKOS015920758
    • methyl 2-cyclopentylpyrazole-3-carboxylate
    • Methyl1-cyclopentyl-1H-pyrazole-5-carboxylate
    • 1328640-91-0
    • STL584422
    • EN300-232687
    • DDC64091
    • CS-0241386
    • MFCD20491522
    • MDL: MFCD20491522
    • Inchi: 1S/C10H14N2O2/c1-14-10(13)9-6-7-11-12(9)8-4-2-3-5-8/h6-8H,2-5H2,1H3
    • InChI Key: OVJGNMDIILAWAA-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=NN1C1CCCC1)=O

Computed Properties

  • Exact Mass: 194.105527694Da
  • Monoisotopic Mass: 194.105527694Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 1.6
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 312.0±15.0 °C at 760 mmHg
  • Flash Point: 142.5±20.4 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate Security Information

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Additional information on methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate

Exploring the Versatile Applications of Methyl 1-Cyclopentyl-1H-Pyrazole-5-Carboxylate (CAS No. 1328640-91-0)

In the realm of organic chemistry and pharmaceutical research, methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate (CAS No. 1328640-91-0) has emerged as a compound of significant interest. This pyrazole derivative is characterized by its unique molecular structure, combining a cyclopentyl group with a pyrazole ring and a methyl ester functionality. Such structural features make it a valuable intermediate in the synthesis of more complex molecules, particularly in drug discovery and material science.

The compound's CAS number 1328640-91-0 is often searched by researchers and chemists looking for reliable suppliers or detailed spectroscopic data. Its systematic name, methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate, may also appear in queries related to pyrazole-based synthesis or heterocyclic chemistry. Recent trends in organic synthesis highlight the growing demand for functionalized pyrazoles, as they serve as key building blocks for agrochemicals, pharmaceuticals, and specialty chemicals.

One of the most compelling aspects of 1328640-91-0 is its role in medicinal chemistry. The pyrazole core is a privileged scaffold found in numerous bioactive molecules, including anti-inflammatory and antimicrobial agents. Researchers are particularly interested in how the cyclopentyl substituent and ester group influence the compound's physicochemical properties and biological activity. This aligns with current industry focus on structure-activity relationships (SAR) and molecular optimization.

From a synthetic chemistry perspective, methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate offers several advantages. The methyl ester moiety provides a convenient handle for further derivatization through hydrolysis or transesterification reactions. Meanwhile, the cyclopentyl group contributes to increased lipophilicity, which can be crucial for improving membrane permeability in drug candidates. These features make it particularly valuable in parallel synthesis and combinatorial chemistry approaches.

In material science applications, compounds like 1328640-91-0 are being explored for their potential in creating novel organic electronic materials. The conjugated system of the pyrazole ring combined with various substituents can lead to interesting photophysical properties. This has sparked interest in applications ranging from organic light-emitting diodes (OLEDs) to molecular sensors, especially as the demand for sustainable electronic materials grows.

Quality control and analytical characterization of methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate are frequent topics in scientific literature. Advanced techniques such as NMR spectroscopy, mass spectrometry, and HPLC analysis are typically employed to verify the compound's purity and structure. The availability of high-quality analytical data for CAS 1328640-91-0 is crucial for researchers who need to confirm their synthetic products or develop new analytical methods.

The compound's stability and storage conditions are another area of practical importance. Proper handling of pyrazole derivatives requires understanding their sensitivity to moisture, light, and temperature. Many researchers search for information about the shelf life and storage recommendations for 1328640-91-0, especially when planning long-term projects or large-scale syntheses.

Looking forward, the applications of methyl 1-cyclopentyl-1H-pyrazole-5-carboxylate are likely to expand as researchers continue to explore its potential. The growing interest in green chemistry approaches may lead to new synthetic routes for this compound that minimize environmental impact. Additionally, its incorporation into metal-organic frameworks (MOFs) or other advanced materials could open up exciting possibilities in catalysis and separation technologies.

For those working with CAS 1328640-91-0, it's important to stay updated on the latest research findings and technological developments. The compound's versatility ensures its continued relevance across multiple scientific disciplines, from medicinal chemistry to materials engineering. As synthetic methodologies advance and analytical techniques become more sophisticated, our understanding of this pyrazole derivative and its applications will undoubtedly deepen.

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