[3-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Compound characteristics
| Compound ID: | D644-0035 |
| Compound Name: | [3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl][3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C20 H21 F3 N4 O2 |
| Smiles: | Cc1ccc(c(C)c1)c1cc(C(N2C(C3CCCCC3=N2)(C(F)(F)F)O)=O)[nH]n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5827 |
| logD: | 4.5825 |
| logSw: | -4.3026 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.411 |
| InChI Key: | NQZXPVCBMDQAAV-UHFFFAOYSA-N |