4-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}-4-oxobut-2-enoic acid
4-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8019-9663 |
| Compound Name: | 4-{[4-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 289.26 |
| Molecular Formula: | C14 H12 F N3 O3 |
| Smiles: | Cc1c(c2ccc(cc2)F)c(NC(/C=C/C(O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8344 |
| logD: | -2.6239 |
| logSw: | -2.2241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.478 |
| InChI Key: | JIHSWQXCGXRSLE-UHFFFAOYSA-N |