{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(2-fluorophenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(2-fluorophenyl)methyl]piperazin-1-yl}methanone
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(2-fluorophenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | Y502-9854 |
| Compound Name: | {4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(2-fluorophenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C22 H21 Cl F N5 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1F)C(c1ccc(Cn2cc(c(n2)[N+]([O-])=O)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8954 |
| logD: | 2.8891 |
| logSw: | -3.4126 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.023 |
| InChI Key: | RKAKUSYVMYRTEN-UHFFFAOYSA-N |