1-(3-chloro-2-methylphenyl)-N-(4-fluoro-3-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-N-(4-fluoro-3-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
1-(3-chloro-2-methylphenyl)-N-(4-fluoro-3-nitrophenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-2191 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-N-(4-fluoro-3-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(Nc1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5684 |
| logD: | 3.5684 |
| logSw: | -3.9961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.085 |
| InChI Key: | DMGCSGDZISCAIM-UHFFFAOYSA-N |