[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Chemical Structure Depiction of
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Compound characteristics
| Compound ID: | D644-0037 |
| Compound Name: | [3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone |
| Molecular Weight: | 438.4 |
| Molecular Formula: | C20 H21 F3 N4 O4 |
| Smiles: | COc1ccc(cc1OC)c1cc(C(N2C(C3CCCCC3=N2)(C(F)(F)F)O)=O)[nH]n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3888 |
| logD: | 3.3885 |
| logSw: | -3.7016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.671 |
| InChI Key: | DCTMRWZIHFZGMF-UHFFFAOYSA-N |