1-(adamantan-1-yl)-4-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-8926 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | Cc1c(CNC(c2c(cn(C34CC5CC(CC(C5)C4)C3)n2)[N+]([O-])=O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7079 |
| logD: | 2.7076 |
| logSw: | -2.9891 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.168 |
| InChI Key: | XVXGBDHZMXZRKC-UHFFFAOYSA-N |