3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
Chemical Structure Depiction of
3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole
Compound characteristics
| Compound ID: | 1900-1223 |
| Compound Name: | 3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole |
| Molecular Weight: | 249.29 |
| Molecular Formula: | C11 H11 N3 O2 S |
| Smiles: | Cc1c(c(C)[nH]n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8952 |
| logD: | 2.8952 |
| logSw: | -3.4738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.263 |
| InChI Key: | KLJQUYGMHVZGNP-UHFFFAOYSA-N |