[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl][3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl][3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]methanone
[5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl][3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]methanone
Compound characteristics
Compound ID: | Y500-4155 |
Compound Name: | [5-(2H-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl][3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]methanone |
Molecular Weight: | 400.29 |
Molecular Formula: | C16 H12 F4 N4 O4 |
Smiles: | C1C(C(F)F)=NN(C(c2cc(c3ccc4c(c3)OCO4)[nH]n2)=O)C1(C(F)F)O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9783 |
logD: | 1.9783 |
logSw: | -2.6107 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.395 |
InChI Key: | JNMUUCJHKVYFGQ-INIZCTEOSA-N |