N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-nitrobenzamide
N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y502-1128 |
| Compound Name: | N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 333.3 |
| Molecular Formula: | C14 H15 N5 O5 |
| Smiles: | Cc1c(c(C)n(CCNC(c2cccc(c2)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1708 |
| logD: | 1.1708 |
| logSw: | -2.2614 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.186 |
| InChI Key: | KZVNJMRHZRDQRC-UHFFFAOYSA-N |