5-amino-3-{2-[2-(benzyloxy)-5-bromophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{2-[2-(benzyloxy)-5-bromophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{2-[2-(benzyloxy)-5-bromophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0273 |
| Compound Name: | 5-amino-3-{2-[2-(benzyloxy)-5-bromophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 464.32 |
| Molecular Formula: | C22 H18 Br N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(ccc2OCc2ccccc2)[Br])C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 3.3948 |
| logD: | 3.3948 |
| logSw: | -3.8615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.025 |
| InChI Key: | OHQZGUJSIYYOSQ-UHFFFAOYSA-N |