5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1305 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(2-cyano-4-nitrophenoxy)-3-methoxyphenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 471.43 |
| Molecular Formula: | C23 H17 N7 O5 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)OC)Oc2ccc(cc2C#N)[N+]([O-])=O)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 2.0064 |
| logD: | 2.0064 |
| logSw: | -2.7323 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 149.701 |
| InChI Key: | FTWSAXXSSHKCKV-UHFFFAOYSA-N |