3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)-1-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)-1-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)propan-1-one
3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)-1-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y501-7032 |
| Compound Name: | 3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)-1-(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)propan-1-one |
| Molecular Weight: | 441.41 |
| Molecular Formula: | C19 H22 F3 N5 O4 |
| Smiles: | COc1c(cn(CCC(N2CCN(CC2)Cc2cccc(c2)C(F)(F)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9798 |
| logD: | 1.9759 |
| logSw: | -2.3009 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.813 |
| InChI Key: | ZOCFBZDGGSJXFX-UHFFFAOYSA-N |