3-{[4-(difluoromethoxy)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[4-(difluoromethoxy)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[4-(difluoromethoxy)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8195 |
| Compound Name: | 3-{[4-(difluoromethoxy)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 311.24 |
| Molecular Formula: | C13 H11 F2 N3 O4 |
| Smiles: | Cn1cc(C(O)=O)c(C(Nc2ccc(cc2)OC(F)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3775 |
| logD: | -2.8113 |
| logSw: | -2.0957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.698 |
| InChI Key: | KORGACXNSWBEIA-UHFFFAOYSA-N |