1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y502-8971 |
| Compound Name: | 1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 307.19 |
| Molecular Formula: | C9 H8 F3 N5 O4 |
| Smiles: | C1C=NN(C(Cn2ccc(n2)[N+]([O-])=O)=O)C1(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.6297 |
| logD: | -0.6297 |
| logSw: | -1.4664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.321 |
| InChI Key: | JBMDTEGUJBZUPD-QMMMGPOBSA-N |