5-amino-3-{1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8007-7600 |
| Compound Name: | 5-amino-3-{1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C20 H21 N7 O3 |
| Smiles: | C1CCN(CC1)c1ccc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7646 |
| logD: | 1.7646 |
| logSw: | -2.1872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.943 |
| InChI Key: | WFDMPXMHYZWBAE-UHFFFAOYSA-N |