3-cyclopropyl-1H-pyrazole
Names and Identifiers of 3-cyclopropyl-1H-pyrazole
CAS Number |
100114-57-6 |
|---|---|
EC Number |
675-353-2 |
MDL Number |
MFCD06739298 |
IUPAC Name |
5-cyclopropyl-1H-pyrazole |
InChI |
InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8) |
InChIKey |
TXWDVWSJMDFNQY-UHFFFAOYSA-N |
Canonical SMILES |
C1CC1C2=CC=NN2 |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-cyclopropyl-1H-pyrazole
Acidity coefficient |
14.56±0.10(Predicted) |
|---|---|
Boiling Point |
264.5±9.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
108.068748 |
Flash Point |
126.9±11.7 °C |
Index of Refraction |
1.609 |
LogP |
1.37 |
Molecular Formula |
C6H8N2 |
Molecular Weight |
108.141 |
PSA |
28.68000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.0±0.5 mmHg at 25°C |
Safety Information of 3-cyclopropyl-1H-pyrazole
Applications of 3-cyclopropyl-1H-pyrazole
3-Cyclopropyl-1H-pyrazole has potential applications in various fields:
- Pharmaceuticals: Due to its biological activity as a kinase inhibitor, it may be developed into therapeutic agents for cancer and other diseases involving dysregulated signaling pathways.
- Agricultural Chemistry: Its derivatives may serve as agrochemicals or pesticides due to their biological activity against pests and pathogens.
- Material Science: The compound can be explored for use in developing novel materials with specific properties based on its chemical structure.
Interaction Studies of 3-cyclopropyl-1H-pyrazole
Studies on the interaction of 3-cyclopropyl-1H-pyrazole with biological targets have revealed its potential as an effective inhibitor of several kinases involved in cell proliferation and survival. The compound's interactions are characterized by binding affinity studies, which indicate how effectively it can inhibit target enzymes compared to other known inhibitors. Such studies are crucial for understanding its mechanism of action and optimizing its structure for enhanced efficacy.
Biological Activity of 3-cyclopropyl-1H-pyrazole
Research indicates that 3-cyclopropyl-1H-pyrazole exhibits notable biological activities, particularly as a kinase inhibitor. It has shown promising results in cellular assays, with effective concentrations (EC50 values) ranging from 33.0 to 124.0 nM against various cancer cell lines. The compound's ability to inhibit specific kinases suggests its potential in treating diseases related to abnormal cell signaling pathways, including cancer.
Physical sample testing spectrum (NMR) of 3-cyclopropyl-1H-pyrazole
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