(3-Trifluoromethyl-1H-pyrazol-4-yl)methanol
Names and Identifiers of 1001020-13-8
CAS Number |
1001020-13-8 |
|---|---|
MDL Number |
MFCD16620670 |
IUPAC Name |
[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol |
InChI |
InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10) |
InChIKey |
PPTPNGBNXZGCBT-UHFFFAOYSA-N |
Canonical SMILES |
C1=NNC(=C1CO)C(F)(F)F |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1001020-13-8
Acidity coefficient |
10.34±0.50(Predicted) |
|---|---|
Boiling Point |
273.4±35.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
166.035400 |
Flash Point |
119.1±25.9 °C |
Index of Refraction |
1.470 |
LogP |
0.10 |
Molecular Formula |
C5H5F3N2O |
Molecular Weight |
166.101 |
PSA |
48.91000 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Safety Information of 1001020-13-8
Applications of 1001020-13-8
(3-Trifluoromethyl-1H-pyrazol-4-yl)methanol has potential applications in various fields:
- Pharmaceuticals: As a building block for drug synthesis, particularly in developing new antimicrobial or anticancer agents.
- Agriculture: It may be utilized in agrochemicals for pest control due to its biological activity.
- Material Science: The compound's unique properties could be explored in creating new materials with specific functionalities.
Interaction Studies of 1001020-13-8
Interaction studies involving (3-Trifluoromethyl-1H-pyrazol-4-yl)methanol typically focus on its binding affinity to biological targets such as enzymes or receptors. These studies help in understanding how the compound interacts at a molecular level, which is crucial for drug design. For instance, docking studies can reveal how this compound fits into active sites of target proteins, potentially guiding modifications to enhance efficacy.
Biological Activity of 1001020-13-8
Research indicates that (3-Trifluoromethyl-1H-pyrazol-4-yl)methanol exhibits significant biological activities. Compounds with similar structures have been studied for their potential as:
- Antimicrobial Agents: The presence of the pyrazole ring is often associated with antimicrobial properties.
- Anti-inflammatory Agents: Some derivatives show promise in reducing inflammation markers.
- Anticancer Activity: Certain pyrazole derivatives have demonstrated cytotoxic effects against various cancer cell lines.
The specific biological activities of (3-Trifluoromethyl-1H-pyrazol-4-yl)methanol require further investigation to elucidate its mechanisms of action and therapeutic potential.
Physical sample testing spectrum (NMR) of 1001020-13-8
