N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1259 |
| Compound Name: | N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C17 H20 N6 O4 S |
| Smiles: | CCN(CC)C(c1c(C)c(C#N)c(NC(c2c(c(C)nn2C)[N+]([O-])=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2918 |
| logD: | -3.0577 |
| logSw: | -2.1655 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.761 |
| InChI Key: | HLEYXJYEUDVEHP-UHFFFAOYSA-N |