4-chloro-1,3-dimethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-1,3-dimethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
4-chloro-1,3-dimethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-9759 |
| Compound Name: | 4-chloro-1,3-dimethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 367.81 |
| Molecular Formula: | C14 H14 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1NC(NC(c1c(c(C)nn1C)[Cl])=O)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.633 |
| logD: | 2.6123 |
| logSw: | -3.835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.792 |
| InChI Key: | QYBAUPOSVYDHDN-UHFFFAOYSA-N |