5-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6229 |
| Compound Name: | 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 309.71 |
| Molecular Formula: | C13 H12 Cl N3 O4 |
| Smiles: | Cn1c(C(Nc2ccc(c(c2)[Cl])OC)=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0069 |
| logD: | -2.1819 |
| logSw: | -2.9966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.884 |
| InChI Key: | IBJHXHZNXSLTSL-UHFFFAOYSA-N |