1-(adamantan-1-yl)-4-nitro-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E558-0167 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(NCc2cccnc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7336 |
| logD: | 2.7334 |
| logSw: | -2.914 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.846 |
| InChI Key: | VPYYKEHTLXETEB-UHFFFAOYSA-N |