3-tert-Butyl-1H-pyrazole-4-carbaldehyde
CAS No.:
1001020-17-2
M. Wt:
152.194
M. Fa:
C8H12N2O
InChI Key:
JQCJTNPAWAQSFC-UHFFFAOYSA-N
Appearance:
White Solid
Names and Identifiers of 3-tert-Butyl-1H-pyrazole-4-carbaldehyde
CAS Number |
1001020-17-2 |
|---|---|
EC Number |
858-919-5 |
MDL Number |
MFCD07186448 |
IUPAC Name |
5-tert-butyl-1H-pyrazole-4-carbaldehyde |
InChI |
InChI=1S/C8H12N2O/c1-8(2,3)7-6(5-11)4-9-10-7/h4-5H,1-3H3,(H,9,10) |
InChIKey |
JQCJTNPAWAQSFC-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(C)C1=C(C=NN1)C=O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-tert-Butyl-1H-pyrazole-4-carbaldehyde
Acidity coefficient |
12.45±0.50(Predicted) |
|---|---|
Boiling Point |
304.9±30.0 °C at 760 mmHg |
Density |
1.1±0.1 g/cm3 |
Exact Mass |
152.094955 |
Flash Point |
142.6±31.0 °C |
Index of Refraction |
1.543 |
LogP |
1.85 |
Molecular Formula |
C8H12N2O |
Molecular Weight |
152.194 |
PSA |
45.75000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2-8°C |
Vapour Pressure |
0.0±0.6 mmHg at 25°C |
Safety Information of 3-tert-Butyl-1H-pyrazole-4-carbaldehyde
Applications of 3-tert-Butyl-1H-pyrazole-4-carbaldehyde
3-tert-Butyl-1H-pyrazole-4-carbaldehyde has several applications:
- Pharmaceuticals: Due to its biological activity, it may serve as a lead compound for drug development targeting specific enzymes.
- Biochemical Research: It is utilized in proteomics research as a biochemical tool for studying enzyme interactions and metabolic pathways.
Biological Activity of 3-tert-Butyl-1H-pyrazole-4-carbaldehyde
Research indicates that 3-tert-butyl-1H-pyrazole-4-carbaldehyde may exhibit biological activities, particularly in enzyme interactions. It has been shown to interact with cytochrome P450 enzymes, which are crucial for the metabolism of many substances within biological systems. These interactions often involve binding to the active sites of enzymes, potentially influencing their activity and function.
Physical sample testing spectrum (NMR) of 3-tert-Butyl-1H-pyrazole-4-carbaldehyde
