5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid
Chemical Structure Depiction of
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y503-2042 |
| Compound Name: | 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid |
| Molecular Weight: | 254.67 |
| Molecular Formula: | C11 H11 Cl N2 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(O)=O)o2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.5134 |
| logD: | -2.9347 |
| logSw: | -2.4353 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.77 |
| InChI Key: | CLZYAKOJMOCPJY-UHFFFAOYSA-N |