1-{4-[4-(4-nitro-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(4-nitro-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(4-nitro-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | Y502-4529 |
| Compound Name: | 1-{4-[4-(4-nitro-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C16 H17 N5 O4 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1c(c[nH]n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1369 |
| logD: | 1.0998 |
| logSw: | -2.2392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.516 |
| InChI Key: | IOUOAXFFWCORQM-UHFFFAOYSA-N |