4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 1951-2357 |
| Compound Name: | 4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 363.75 |
| Molecular Formula: | C12 H9 Cl F3 N5 O S |
| Smiles: | CC1\C(C(N(C(N)=S)N=1)=O)=N/Nc1cc(ccc1[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2101 |
| logD: | 3.0027 |
| logSw: | -3.6426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.645 |
| InChI Key: | QNEKLMVLOPVNKQ-UHFFFAOYSA-N |