{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(phenyl)methanone
{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | 4299-1947 |
| Compound Name: | {4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(phenyl)methanone |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5636 |
| logD: | 2.5636 |
| logSw: | -2.895 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.798 |
| InChI Key: | VASRYFLLGQNRIT-UHFFFAOYSA-N |