N-[(adamantan-1-yl)methyl]-4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
N-[(adamantan-1-yl)methyl]-4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y508-3574 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 366.3 |
| Molecular Formula: | C17 H24 Br N3 O |
| Smiles: | Cc1c(c(C(NCC23CC4CC(CC(C4)C3)C2)=O)nn1C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7235 |
| logD: | 3.7235 |
| logSw: | -4.0564 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.718 |
| InChI Key: | KYZAWHIAQRUHDM-UHFFFAOYSA-N |