3-[(5-fluoro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-[(5-fluoro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(5-fluoro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6126 |
| Compound Name: | 3-[(5-fluoro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 277.25 |
| Molecular Formula: | C13 H12 F N3 O3 |
| Smiles: | Cc1ccc(cc1NC(c1c(cn(C)n1)C(O)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.4127 |
| logD: | -2.7761 |
| logSw: | -2.1154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.396 |
| InChI Key: | TYYBYGAZDQGCLJ-UHFFFAOYSA-N |