N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1275 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 516 |
| Molecular Formula: | C25 H29 N5 O5 |
| Salt: | HCl |
| Smiles: | COc1ccc(CCNC(c2cnn(c3ccc(cc3)[N+]([O-])=O)c2C2CCNCC2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.6835 |
| logD: | -0.7974 |
| logSw: | -3.0802 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.025 |
| InChI Key: | YOCMBSGPGNLUNJ-UHFFFAOYSA-N |