1-Isopropyl-3-nitro-1H-pyrazole
CAS No.:
1003012-75-6
M. Wt:
155.15500
M. Fa:
C6H9N3O2
InChI Key:
BVADIEGMRNCQSZ-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 1-Isopropyl-3-nitro-1H-pyrazole
CAS Number |
1003012-75-6 |
|---|---|
MDL Number |
MFCD08558991 |
IUPAC Name |
3-nitro-1-propan-2-ylpyrazole |
InChI |
InChI=1S/C6H9N3O2/c1-5(2)8-4-3-6(7-8)9(10)11/h3-5H,1-2H3 |
InChIKey |
BVADIEGMRNCQSZ-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)N1C=CC(=N1)[N+](=O)[O-] |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1-Isopropyl-3-nitro-1H-pyrazole
Exact Mass |
155.06900 |
|---|---|
LogP |
1.89540 |
Molecular Formula |
C6H9N3O2 |
Molecular Weight |
155.15500 |
PSA |
63.64000 |
Safety Information of 1-Isopropyl-3-nitro-1H-pyrazole
Applications of 1-Isopropyl-3-nitro-1H-pyrazole
This compound has several noteworthy applications:
- Medicinal Chemistry: It serves as a building block for synthesizing more complex heterocyclic compounds with potential therapeutic effects.
- Agrochemicals: It is utilized in the production of agrochemicals due to its biological activity.
- Research: Its unique structure makes it a candidate for further scientific investigation in various fields, including organic synthesis and pharmacology.
Biological Activity of 1-Isopropyl-3-nitro-1H-pyrazole
Research indicates that 1-isopropyl-3-nitro-1H-pyrazole possesses potential biological activities, particularly in the development of small molecule inhibitors. It has been investigated for its possible therapeutic properties, including anti-inflammatory and anticancer activities. The mechanism of action may involve inhibition of specific enzymes by binding to their active sites, thereby blocking their catalytic activity.
Physical sample testing spectrum (NMR) of 1-Isopropyl-3-nitro-1H-pyrazole
Cas:26621-44-3
Cas:75-26-3
