1-(adamantan-1-yl)-N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-1314 |
| Compound Name: | 1-(adamantan-1-yl)-N-(4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)n1cc(c(C(Nc2ccc(cc2)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3524 |
| logD: | 4.3463 |
| logSw: | -4.3504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.55 |
| InChI Key: | SDIBOXSQFZTZIU-UHFFFAOYSA-N |