1-(adamantan-1-yl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-8925 |
| Compound Name: | 1-(adamantan-1-yl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C24 H25 F N6 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2cnn(Cc3ccc(cc3)F)c2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1379 |
| logD: | 3.9419 |
| logSw: | -4.355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.512 |
| InChI Key: | XCJBIUOAMZHYSD-UHFFFAOYSA-N |