1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}ethan-1-one
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8012-2577 |
| Compound Name: | 1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | CC(N1CCN(CC1)c1ccc(c(c1)n1c(C)cc(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5196 |
| logD: | 1.5196 |
| logSw: | -2.0285 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.538 |
| InChI Key: | HQDYJNRATBRJPW-UHFFFAOYSA-N |