4-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
Chemical Structure Depiction of
4-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
4-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
Compound characteristics
| Compound ID: | 3814-0749 |
| Compound Name: | 4-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide |
| Molecular Weight: | 356.36 |
| Molecular Formula: | C15 H12 N6 O3 S |
| Smiles: | Cc1c(C(C(C#N)C#N)c2ccc(cc2)[N+]([O-])=O)c(n(C(N)=S)n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4081 |
| logD: | -0.0497 |
| logSw: | -1.7214 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.091 |
| InChI Key: | CXPSZRUEDMZRAS-ZDUSSCGKSA-N |