1-(adamantan-1-yl)-N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-chloro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-chloro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-chloro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-7738 |
| Compound Name: | 1-(adamantan-1-yl)-N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-chloro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 551.92 |
| Molecular Formula: | C24 H24 Cl F6 N3 O3 |
| Smiles: | [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C[C@@](C2)(C3)n1cc(c(C(Nc2cc(cc(c2)OCC(F)(F)F)OCC(F)(F)F)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7182 |
| logD: | 6.7101 |
| logSw: | -6.6857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.924 |
| InChI Key: | KLOGPQFHIGTDAJ-UHFFFAOYSA-N |