1-(3-chloro-2-methylphenyl)-N-(2-fluoro-5-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-N-(2-fluoro-5-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
1-(3-chloro-2-methylphenyl)-N-(2-fluoro-5-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-2190 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-N-(2-fluoro-5-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 494.35 |
| Molecular Formula: | C22 H21 Cl F N5 O3 |
| Salt: | HCl |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCNCC2)c(cn1)C(Nc1cc(ccc1F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8478 |
| logD: | 3.8478 |
| logSw: | -4.2541 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.688 |
| InChI Key: | XXOIJJCDVUENJX-UHFFFAOYSA-N |