ethyl 2-{[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-{[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
ethyl 2-{[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1216 |
| Compound Name: | ethyl 2-{[1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C24 H25 N5 O5 |
| Salt: | HCl |
| Smiles: | CCOC(c1ccccc1NC(c1cnn(c2ccc(cc2)[N+]([O-])=O)c1C1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9687 |
| logD: | -0.5123 |
| logSw: | -3.4229 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.743 |
| InChI Key: | FYGQSWAJYBSPHM-UHFFFAOYSA-N |