1-(adamantan-1-yl)-N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-8266 |
| Compound Name: | 1-(adamantan-1-yl)-N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C24 H24 Cl F N6 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2ccn(Cc3c(cccc3[Cl])F)n2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.049 |
| logD: | 4.4884 |
| logSw: | -5.2782 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.962 |
| InChI Key: | ICBJIGAHIOKIDU-UHFFFAOYSA-N |