5-{[3-fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{[3-fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{[3-fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-9143 |
| Compound Name: | 5-{[3-fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 330.28 |
| Molecular Formula: | C14 H11 F N6 O3 |
| Smiles: | Cn1c(C(Nc2ccc(c(c2)F)n2cncn2)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6939 |
| logD: | -3.4949 |
| logSw: | -2.0088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.781 |
| InChI Key: | HURUSBAZDWKRBV-UHFFFAOYSA-N |