4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | C163-0064 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C18 H22 Cl N5 O3 |
| Smiles: | Cc1c(c(nn1CCCC(N1CCN(CC1)c1ccccc1)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9297 |
| logD: | 1.9297 |
| logSw: | -2.9089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.889 |
| InChI Key: | RQRVLEPCIUMBRQ-UHFFFAOYSA-N |