N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-nitrobenzamide
N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y502-1478 |
| Compound Name: | N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-nitrobenzamide |
| Molecular Weight: | 367.2 |
| Molecular Formula: | C14 H15 Br N4 O3 |
| Smiles: | Cc1c(c(C)n(CCNC(c2ccc(cc2)[N+]([O-])=O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8958 |
| logD: | 1.8958 |
| logSw: | -2.4475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.407 |
| InChI Key: | MRFLHXHJHUUXLO-UHFFFAOYSA-N |