structure of 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine

3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine

CAS No.: 1000802-72-1
M. Wt: 232.121
M. Fa: C8H14BrN3
InChI Key: NJGOTAWBGADHOH-UHFFFAOYSA-N

Names and Identifiers of 1000802-72-1

CAS Number

1000802-72-1

MDL Number

MFCD03422556

IUPAC Name

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine

InChI

InChI=1S/C8H14BrN3/c1-6-8(9)7(2)12(11-6)5-3-4-10/h3-5,10H2,1-2H3

InChIKey

NJGOTAWBGADHOH-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C(=NN1CCCN)C)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000802-72-1

Acidity coefficient

9?+-.0.10(Predicted)

Boiling Point

309.9±42.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

231.037109

Flash Point

141.2±27.9 °C

Index of Refraction

1.595

LogP

1.85

Molecular Formula

C8H14BrN3

Molecular Weight

232.121

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000802-72-1

Pictograms

Signal Word

 Warning

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

Applications of 1000802-72-1

This compound has several applications in various fields:

  • Pharmaceuticals: It serves as a building block for developing new drugs due to its biological activities.
  • Research: Used in proteomics and biochemical studies to explore protein interactions and functions.
  • Agriculture: Potential applications in developing agrochemicals for pest control due to its antimicrobial properties.

Interaction Studies of 1000802-72-1

Interaction studies involving 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine focus on its binding affinity with various biological targets. Research indicates that:

  • It may interact with specific enzyme systems, influencing metabolic pathways.
  • Studies have shown potential interactions with receptors involved in inflammatory responses, suggesting therapeutic implications in treating inflammatory diseases.

Biological Activity of 1000802-72-1

Pyrazole derivatives, including 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine, have been noted for their diverse biological activities. These compounds often exhibit:

  • Antimicrobial Properties: Many pyrazole derivatives show activity against various bacteria and fungi.
  • Anticancer Activity: Some studies suggest that pyrazole compounds can inhibit cancer cell proliferation.
  • Anti-inflammatory Effects: Certain derivatives have been reported to reduce inflammation in biological models.