1-(adamantan-1-yl)-N-benzyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-benzyl-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-benzyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3711 |
| Compound Name: | 1-(adamantan-1-yl)-N-benzyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C21 H24 N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(NCc2ccccc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9613 |
| logD: | 3.9604 |
| logSw: | -4.2842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.328 |
| InChI Key: | QPCSICMDPZUUTN-UHFFFAOYSA-N |