N-(4-bromophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(4-bromophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
N-(4-bromophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | E922-1252 |
Compound Name: | N-(4-bromophenyl)-1-(4-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
Molecular Weight: | 506.79 |
Molecular Formula: | C21 H20 Br N5 O3 |
Salt: | HCl |
Smiles: | C1CNCCC1c1c(cnn1c1ccc(cc1)[N+]([O-])=O)C(Nc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.3361 |
logD: | -0.1448 |
logSw: | -3.6601 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.687 |
InChI Key: | PXGVZUQUCVCBDI-UHFFFAOYSA-N |