3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]propan-1-one
Compound characteristics
| Compound ID: | D644-0033 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]propan-1-one |
| Molecular Weight: | 358.36 |
| Molecular Formula: | C16 H21 F3 N4 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C(C3CCCCC3=N2)(C(F)(F)F)O)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6426 |
| logD: | 1.6425 |
| logSw: | -1.5672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.379 |
| InChI Key: | AQMLAMLEWFLTQP-UHFFFAOYSA-N |