HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-chloro-1-methyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide
4-chloro-1-methyl-N'-[2-(trifluoromethyl)benzylidene]-1H-pyrazole-5-carbohydrazide
![4-chloro-1-methyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrazole-5-carboxamide molecular structure](/img/chemical/178698317.png)
Identifiers & Physical Properties
| CAS No. | 515121-07-0 |
|---|---|
| Molecular formula | C13H10ClF3N4O |
| Average molar mass | 330.69 g/mol |
| Monoisotopic mass | 330.0495231 g/mol |
| SMILES | Cn1ncc(Cl)c1C(=O)NN=Cc1ccccc1C(F)(F)F |
| InChIKey | MJLNVEDOHVEZQE-UHFFFAOYSA-N |
| PubChem CID | 841285 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 59.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 432 |
| Density | 1.440±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 10.829±0.46(predicted) |