1-(adamantan-1-yl)-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0253 |
| Compound Name: | 1-(adamantan-1-yl)-N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C27 H34 F N5 O3 |
| Smiles: | C1CN(CCC1CNC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.6132 |
| logD: | 2.8238 |
| logSw: | -4.4498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.061 |
| InChI Key: | XRJSMEKKHFMEKE-UHFFFAOYSA-N |