1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8003-0197 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | Cc1cc(nn1CC(N1CCN(CC1)Cc1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7067 |
| logD: | 0.6913 |
| logSw: | -1.7096 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.945 |
| InChI Key: | SDPVNINFODUSHX-UHFFFAOYSA-N |