3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1208 |
| Compound Name: | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 176.12 |
| Molecular Formula: | C6 H6 F2 N2 O2 |
| Smiles: | Cn1cc(C(O)=O)c(C(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.5591 |
| logD: | -2.9043 |
| logSw: | -0.8218 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.002 |
| InChI Key: | RLOHOBNEYHBZID-UHFFFAOYSA-N |