N'-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}adamantane-1-carbohydrazide
Chemical Structure Depiction of
N'-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}adamantane-1-carbohydrazide
N'-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}adamantane-1-carbohydrazide
Compound characteristics
| Compound ID: | K038-0013 |
| Compound Name: | N'-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylidene}adamantane-1-carbohydrazide |
| Molecular Weight: | 388.82 |
| Molecular Formula: | C17 H20 Cl F3 N4 O |
| Smiles: | Cn1c(c(/C=N/NC(C23CC4CC(CC(C4)C3)C2)=O)c(C(F)(F)F)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.519 |
| logD: | 4.4853 |
| logSw: | -4.5787 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.002 |
| InChI Key: | AOMNUSUPQKJRMK-UHFFFAOYSA-N |