5-amino-3-(2-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(2-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-(2-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2038-0258 |
| Compound Name: | 5-amino-3-(2-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-1-cyanoethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(ccc2OC(C)C)[Br])C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 2.3546 |
| logD: | 2.3546 |
| logSw: | -2.4967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.601 |
| InChI Key: | DQQRFEXHNJOQGX-UHFFFAOYSA-N |