structure of Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate

CAS No.: 1001665-65-1
M. Wt: 274.25000
M. Fa: C13H11FN4O2
InChI Key: UUTVXASIJAMACY-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1001665-65-1

CAS Number

1001665-65-1

MDL Number

MFCD09835734

IUPAC Name

ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate

InChI

InChI=1S/C13H11FN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-8(14)4-6-9/h3-6H,2,16H2,1H3

InChIKey

UUTVXASIJAMACY-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F

UNSPSC Code

12352100

Physical and chemical properties of 1001665-65-1

Exact Mass

274.08700

LogP

2.22318

Molecular Formula

C13H11FN4O2

Molecular Weight

274.25000

PSA

93.93000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Safety Information of 1001665-65-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1001665-65-1

Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate has applications in:

  • Pharmaceutical research: Due to its potential biological activities, it is investigated as a lead compound for developing new drugs.
  • Agricultural chemistry: Its antimicrobial properties may be explored for use in developing new agrochemicals.
  • Material science: The unique structure may lend itself to applications in creating novel materials with specific properties.

Interaction Studies of 1001665-65-1

Interaction studies involving Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate often focus on:

  • Protein binding assays: Understanding how the compound interacts with target proteins can provide insights into its mechanism of action.
  • Cellular uptake studies: Investigating how well the compound penetrates cell membranes can inform its bioavailability and efficacy.
  • Synergistic effects: Studies may explore how this compound interacts with other drugs to enhance therapeutic outcomes.

These studies are crucial for evaluating the compound's potential as a therapeutic agent.

Biological Activity of 1001665-65-1

Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate has demonstrated various biological activities, including:

  • Antimicrobial properties: It has shown effectiveness against certain bacterial strains.
  • Antitumor activity: Preliminary studies suggest potential efficacy in inhibiting cancer cell proliferation.
  • Anti-inflammatory effects: The compound may possess properties that reduce inflammation, contributing to its therapeutic potential.

These activities make it a candidate for further research in drug development and therapeutic applications.

Physical sample testing spectrum (NMR) of 1001665-65-1

Physical sample testing spectrum (NMR) of 1001665-65-1

Retrosynthesis analysis of 1001665-65-1

  • Route#1

    Cas:109-77-3
    Cas:1001665-65-1