5-amino-3-{1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-6622 |
| Compound Name: | 5-amino-3-{1-cyano-2-[5-(3,5-dichlorophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 414.25 |
| Molecular Formula: | C19 H13 Cl2 N5 O2 |
| Smiles: | C(CO)n1c(c(C#N)c(/C(=C/c2ccc(c3cc(cc(c3)[Cl])[Cl])o2)C#N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 3.4571 |
| logD: | 3.4571 |
| logSw: | -4.2999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.281 |
| InChI Key: | NTIAHYGBBUEKFC-UHFFFAOYSA-N |