Cas no 1171364-51-4 (ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate)

Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate is a versatile organic compound with a broad range of applications in pharmaceutical and agrochemical industries. Its unique structure, characterized by a pyrazole ring and a butanoate group, offers favorable solubility and stability properties. This compound exhibits excellent reactivity, making it a valuable intermediate in the synthesis of various biologically active molecules.
ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate structure
1171364-51-4 structure
Product Name:ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate
CAS No:1171364-51-4
MF:C10H16N2O2
MW:196.246242523193
MDL:MFCD09473515
CID:3158928
PubChem ID:25247469
Update Time:2025-06-20

ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate
    • AKOS005167668
    • ethyl4-(3-methyl-1H-pyrazol-1-yl)butanoate
    • 1171364-51-4
    • ethyl 4-(3-methylpyrazol-1-yl)butanoate
    • STK351677
    • EN300-231323
    • MDL: MFCD09473515
    • Inchi: 1S/C10H16N2O2/c1-3-14-10(13)5-4-7-12-8-6-9(2)11-12/h6,8H,3-5,7H2,1-2H3
    • InChI Key: OLDAFCMXGCBSMW-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCCN1C=CC(C)=N1)=O

Computed Properties

  • Exact Mass: 196.121
  • Monoisotopic Mass: 196.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 185
  • 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
  • Topological Polar Surface Area: 44.1A^2
  • XLogP3: 1.1

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Additional information on ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate

Professional Introduction to Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate (CAS No. 1171364-51-4)

Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate, a compound with the chemical identifier CAS No. 1171364-51-4, is a specialized organic molecule that has garnered significant attention in the field of pharmaceutical research and development. This compound belongs to the class of pyrazole derivatives, which are known for their diverse biological activities and potential therapeutic applications. The structure of this molecule incorporates a butanoate ester group linked to a pyrazole ring substituted with a methyl group, making it a versatile scaffold for further chemical modifications and biological evaluations.

The< strong>ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate molecule exhibits a unique combination of functional groups that contribute to its reactivity and biological properties. The pyrazole ring is a heterocyclic aromatic compound that has been extensively studied for its role in various pharmacological activities, including anti-inflammatory, antimicrobial, and anticancer effects. The presence of the methyl group on the pyrazole ring enhances its binding affinity to biological targets, making it an attractive moiety for drug design.

In recent years, there has been a surge in research focused on developing novel derivatives of pyrazole due to their promising pharmacological profiles. The< strong>Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate compound has been investigated for its potential role in modulating various biological pathways. Studies have shown that this molecule can interact with enzymes and receptors involved in inflammatory responses, suggesting its potential as an anti-inflammatory agent. Additionally, its ability to cross the blood-brain barrier has made it a candidate for neuropharmacological research.

The< strong>CAS No. 1171364-51-4 identifier ensures that researchers can accurately reference and retrieve information about this compound. This standardized classification system is crucial for maintaining consistency in scientific literature and facilitating collaboration across international research teams. The ethyl butanoate moiety in the molecule contributes to its solubility and bioavailability, which are critical factors in drug development. By enhancing solubility, this compound can potentially improve the absorption and distribution within the body, leading to more effective therapeutic outcomes.

Recent advancements in computational chemistry have enabled researchers to predict the biological activity of< strong>Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate with greater precision. Molecular docking studies have identified potential binding sites on target proteins, providing insights into how this compound may exert its effects at the molecular level. These computational approaches complement experimental investigations by allowing researchers to screen large libraries of compounds efficiently.

The< strong>3-methyl-1H-pyrazol-1-yl substituent is particularly noteworthy as it introduces a chiral center into the molecule, which can influence its pharmacological properties significantly. Chiral molecules often exhibit different biological activities depending on their stereochemistry, making them valuable candidates for developing enantiomerically pure drugs. Research into< strong>Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate may lead to the discovery of new enantiomerically pure compounds with enhanced therapeutic efficacy and reduced side effects.

In conclusion, Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate (CAS No. 1171364-51-4) is a promising compound with significant potential in pharmaceutical research. Its unique structural features and biological activities make it an attractive candidate for further investigation into various therapeutic applications. As research continues to uncover new insights into the pharmacological properties of pyrazole derivatives, compounds like< strong>Ethyl 4-(3-methyl-1H-pyrazol-1-yl)butanoate are likely to play a crucial role in the development of novel treatments for a wide range of diseases.

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