5-amino-3-(1-cyano-2-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-cyano-2-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
5-amino-3-(1-cyano-2-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 1809-0083 |
| Compound Name: | 5-amino-3-(1-cyano-2-{3-iodo-5-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}ethenyl)-1-phenyl-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 521.32 |
| Molecular Formula: | C23 H16 I N5 O2 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)I)OCC#C)OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1721 |
| logD: | 4.1721 |
| logSw: | -4.5985 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.163 |
| InChI Key: | OAOHWHHENMRWEV-UHFFFAOYSA-N |