5-amino-3-{1-cyano-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-6871 |
| Compound Name: | 5-amino-3-{1-cyano-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 389.37 |
| Molecular Formula: | C19 H15 N7 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 1.7288 |
| logD: | 1.7288 |
| logSw: | -1.8703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.622 |
| InChI Key: | IBLHLMZJBXRQSH-UHFFFAOYSA-N |