5-amino-3-{1-cyano-2-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-{1-cyano-2-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
5-amino-3-{1-cyano-2-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 2367-1308 |
| Compound Name: | 5-amino-3-{1-cyano-2-[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 421.46 |
| Molecular Formula: | C21 H23 N7 O3 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)[N+]([O-])=O)N2CCC(C)CC2)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 2.0949 |
| logD: | 2.0949 |
| logSw: | -2.5578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.943 |
| InChI Key: | GCSMTJMFVHVCEQ-UHFFFAOYSA-N |