4-chloro-1-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-1-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
4-chloro-1-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-2941 |
| Compound Name: | 4-chloro-1-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 353.78 |
| Molecular Formula: | C13 H12 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1NC(NC(c1c(cnn1C)[Cl])=O)=S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.568 |
| logD: | 2.5368 |
| logSw: | -3.4614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.439 |
| InChI Key: | GXQCDJJDAQXIMD-UHFFFAOYSA-N |