3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
Chemical Structure Depiction of
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
Compound characteristics
| Compound ID: | Y501-5316 |
| Compound Name: | 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide |
| Molecular Weight: | 444.87 |
| Molecular Formula: | C21 H21 Cl N4 O5 |
| Smiles: | Cc1c(c(C)n(CCC(Nc2cc(cc(c2)Oc2ccccc2OC)[N+]([O-])=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9886 |
| logD: | 3.9867 |
| logSw: | -4.6924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.494 |
| InChI Key: | GKXOPFXGNHRKMT-UHFFFAOYSA-N |