3-methyl-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
3-methyl-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
3-methyl-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1951-2355 |
| Compound Name: | 3-methyl-5-oxo-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 329.3 |
| Molecular Formula: | C12 H10 F3 N5 O S |
| Smiles: | CC1\C(C(N(C(N)=S)N=1)=O)=N/Nc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.4593 |
| logD: | 2.4593 |
| logSw: | -2.8732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.645 |
| InChI Key: | JFMSHBJRUARVTQ-UHFFFAOYSA-N |