3-{[5-(methoxycarbonyl)-2-methylphenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{[5-(methoxycarbonyl)-2-methylphenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{[5-(methoxycarbonyl)-2-methylphenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-8055 |
| Compound Name: | 3-{[5-(methoxycarbonyl)-2-methylphenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C15 H15 N3 O5 |
| Smiles: | Cc1ccc(cc1NC(c1c(cn(C)n1)C(O)=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.543 |
| logD: | -2.6458 |
| logSw: | -2.0868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.569 |
| InChI Key: | XSGBEWATWRDDPQ-UHFFFAOYSA-N |