structure of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

1-(1-ethyl-1H-pyrazol-3-yl)ethanone

CAS No.: 1004193-93-4
M. Wt: 138.16700
M. Fa: C7H10N2O
InChI Key: UZGPIUGGVSKCAM-UHFFFAOYSA-N
Appearance: Yellow Liquid

Names and Identifiers of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

CAS Number

1004193-93-4

MDL Number

MFCD04968782

IUPAC Name

1-(1-ethylpyrazol-3-yl)ethanone

InChI

InChI=1S/C7H10N2O/c1-3-9-5-4-7(8-9)6(2)10/h4-5H,3H2,1-2H3

InChIKey

UZGPIUGGVSKCAM-UHFFFAOYSA-N

Canonical SMILES

CCN1C=CC(=N1)C(=O)C

UNSPSC Code

12352100

Physical and chemical properties of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

Density

1.08

Exact Mass

138.07900

LogP

1.10560

Molecular Formula

C7H10N2O

Molecular Weight

138.16700

PSA

34.89000

Safety Information of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

1-(1-ethyl-1H-pyrazol-3-yl)ethanone has several notable applications:

  • Pharmaceutical Development: It serves as a building block in the synthesis of more complex pharmaceutical compounds.
  • Research Tool: Utilized in biochemical studies to explore enzyme interactions and biological pathways.
  • Agricultural Chemistry: Investigated for potential use in developing agrochemicals due to its biological activity.

Interaction Studies of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

Interaction studies involving 1-(1-ethyl-1H-pyrazol-3-yl)ethanone focus on its binding affinity and effects on various biological targets. These studies typically assess:

  • Enzyme Inhibition: Evaluating how the compound affects enzyme activity related to metabolic pathways.
  • Receptor Binding: Investigating interactions with specific receptors that may lead to physiological responses.

These studies are crucial for understanding the compound's mechanism of action and potential therapeutic uses.

Biological Activity of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

The biological activity of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone has been the subject of research due to its potential therapeutic properties. Studies suggest that compounds with pyrazole structures can exhibit:

  • Antimicrobial Activity: Some derivatives have shown effectiveness against various bacterial strains.
  • Anti-inflammatory Properties: Research indicates potential in modulating inflammatory pathways.
  • Cytotoxic Effects: Certain studies have explored its ability to induce apoptosis in cancer cells.

The specific mechanisms of action are still under investigation, but they likely involve interactions with biological targets such as enzymes or receptors involved in these pathways.

Physical sample testing spectrum (NMR) of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone

Physical sample testing spectrum (NMR) of 1-(1-ethyl-1H-pyrazol-3-yl)ethanone