4-(adamantan-1-yl)-5-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)-1H-pyrazole
Chemical Structure Depiction of
4-(adamantan-1-yl)-5-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)-1H-pyrazole
4-(adamantan-1-yl)-5-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)-1H-pyrazole
Compound characteristics
| Compound ID: | 8014-9102 |
| Compound Name: | 4-(adamantan-1-yl)-5-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)-1H-pyrazole |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C21 H21 F3 N2 O2 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1c(C(F)(F)F)n[nH]c1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.0724 |
| logD: | 6.0724 |
| logSw: | -6.286 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.146 |
| InChI Key: | NMNYLOSAKJLWSZ-UHFFFAOYSA-N |