ethyl ({1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}amino)(oxo)acetate
Chemical Structure Depiction of
ethyl ({1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}amino)(oxo)acetate
ethyl ({1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}amino)(oxo)acetate
Compound characteristics
| Compound ID: | Y500-3916 |
| Compound Name: | ethyl ({1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}amino)(oxo)acetate |
| Molecular Weight: | 380.24 |
| Molecular Formula: | C16 H18 Br N3 O3 |
| Smiles: | CCOC(C(Nc1c(C)nn(Cc2ccc(cc2)[Br])c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1156 |
| logD: | 1.8141 |
| logSw: | -2.7696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.241 |
| InChI Key: | BABBUPDYIGDSJZ-UHFFFAOYSA-N |