N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2409 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 472.31 |
| Molecular Formula: | C19 H21 Br F3 N5 O |
| Smiles: | Cn1c(C(Nc2ccn(C34CC5CC(CC(C5)C4)C3)n2)=O)c(c(C(F)(F)F)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3776 |
| logD: | 3.9592 |
| logSw: | -4.3556 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.891 |
| InChI Key: | NTKHDBYBZNSMAM-UHFFFAOYSA-N |