(4-nitro-1H-pyrazol-1-yl)acetonitrile
CAS No.:
1001500-47-5
M. Wt:
152.111
M. Fa:
C5H4N4O2
InChI Key:
LFQFUHCPOAKRLD-UHFFFAOYSA-N
Appearance:
Off white solid
Names and Identifiers of (4-nitro-1H-pyrazol-1-yl)acetonitrile
CAS Number |
1001500-47-5 |
|---|---|
MDL Number |
MFCD04969696 |
IUPAC Name |
2-(4-nitropyrazol-1-yl)acetonitrile |
InChI |
InChI=1S/C5H4N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,2H2 |
InChIKey |
LFQFUHCPOAKRLD-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C=NN1CC#N)[N+](=O)[O-] |
UNSPSC Code |
12352100 |
Physical and chemical properties of (4-nitro-1H-pyrazol-1-yl)acetonitrile
Boiling Point |
353.4±22.0 °C at 760 mmHg |
|---|---|
Density |
1.5±0.1 g/cm3 |
Exact Mass |
152.033432 |
Flash Point |
167.5±22.3 °C |
Index of Refraction |
1.659 |
LogP |
-0.08 |
Molecular Formula |
C5H4N4O2 |
Molecular Weight |
152.111 |
Storage condition |
2-8°C |
Vapour Pressure |
0.0±0.8 mmHg at 25°C |
Safety Information of (4-nitro-1H-pyrazol-1-yl)acetonitrile
Applications of (4-nitro-1H-pyrazol-1-yl)acetonitrile
(4-nitro-1H-pyrazol-1-yl)acetonitrile has potential applications in various domains:
- Pharmaceuticals: As a building block for developing new drugs targeting inflammatory diseases or infections.
- Agricultural Chemicals: Potential use in the synthesis of agrochemicals due to its biological activity.
- Material Science: Exploration in the development of new materials with unique properties derived from pyrazole derivatives.
Interaction Studies of (4-nitro-1H-pyrazol-1-yl)acetonitrile
Interaction studies involving (4-nitro-1H-pyrazol-1-yl)acetonitrile primarily focus on its binding affinity with biological targets. Molecular docking studies suggest that this compound may interact with enzymes or receptors involved in inflammatory pathways. Further research is necessary to elucidate its mechanisms of action and potential therapeutic applications.
Physical sample testing spectrum (NMR) of (4-nitro-1H-pyrazol-1-yl)acetonitrile
