N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1266 |
| Compound Name: | N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 337.35 |
| Molecular Formula: | C13 H15 N5 O4 S |
| Smiles: | Cc1c(C(N)=O)c(NC(c2c(c(C)nn2C)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 0.0065 |
| logD: | -3.9358 |
| logSw: | -1.8679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.831 |
| InChI Key: | FZIOXTKDRMTHGW-UHFFFAOYSA-N |