methyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
methyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-2214 |
| Compound Name: | methyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 489.4 |
| Molecular Formula: | C24 H25 Cl N4 O3 |
| Salt: | HCl |
| Smiles: | Cc1c(cccc1[Cl])n1c(C2CCNCC2)c(cn1)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6996 |
| logD: | 0.2186 |
| logSw: | -4.1714 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.178 |
| InChI Key: | SSQQNSIIUYDAAB-UHFFFAOYSA-N |