1-(adamantan-1-yl)-N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3353 |
| Compound Name: | 1-(adamantan-1-yl)-N-(3,4-dimethoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H26 N4 O5 |
| Smiles: | COc1ccc(cc1OC)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.905 |
| logD: | 3.8498 |
| logSw: | -4.2113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.267 |
| InChI Key: | GOHKWEBDVSHYEM-UHFFFAOYSA-N |