3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
Compound ID: | Y507-5287 |
Compound Name: | 3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
Molecular Weight: | 180.08 |
Molecular Formula: | C5 H3 F3 N2 O2 |
Smiles: | c1c(C(O)=O)c(C(F)(F)F)n[nH]1 |
Stereo: | ACHIRAL |
logP: | 1.0742 |
logD: | -3.2582 |
logSw: | -1.6319 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.108 |
InChI Key: | VHKMTORCXXPIFI-UHFFFAOYSA-N |