1-(adamantan-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3440 |
| Compound Name: | 1-(adamantan-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 468.86 |
| Molecular Formula: | C21 H20 Cl F3 N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2ccc(c(c2)C(F)(F)F)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9773 |
| logD: | 3.9413 |
| logSw: | -6.309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.006 |
| InChI Key: | MAVMLDFQSBMEOY-UHFFFAOYSA-N |