1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | 8016-7013 |
| Compound Name: | 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C14 H15 N5 O4 |
| Smiles: | Cc1ccc(c(C)c1)NC(Cn1cc(c(C(N)=O)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.05 |
| logD: | 1.05 |
| logSw: | -2.3801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.882 |
| InChI Key: | GLZMSQUAOZLMSD-UHFFFAOYSA-N |