5-amino-3-{1-cyano-2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8008-6921 |
| Compound Name: | 5-amino-3-{1-cyano-2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C20 H16 N6 O5 |
| Smiles: | COc1ccc(cc1c1ccc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8132 |
| logD: | 1.8132 |
| logSw: | -2.5499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 133.293 |
| InChI Key: | RNZIISKWWKDZJD-UHFFFAOYSA-N |