1-(adamantan-1-yl)-N-{1-ethyl-3-[(2-methoxyethyl)carbamoyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-{1-ethyl-3-[(2-methoxyethyl)carbamoyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-{1-ethyl-3-[(2-methoxyethyl)carbamoyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y503-1200 |
| Compound Name: | 1-(adamantan-1-yl)-N-{1-ethyl-3-[(2-methoxyethyl)carbamoyl]-1H-pyrazol-4-yl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C23 H31 N7 O5 |
| Smiles: | CCn1cc(c(C(NCCOC)=O)n1)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1792 |
| logD: | -0.453 |
| logSw: | -2.6791 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.226 |
| InChI Key: | COGYCDWMKNEYAO-UHFFFAOYSA-N |