5-{4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6199 |
| Compound Name: | 5-{4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 397.26 |
| Molecular Formula: | C17 H18 Cl2 N4 O3 |
| Smiles: | Cn1c(C(N2CCN(CC2)Cc2c(cccc2[Cl])[Cl])=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1745 |
| logD: | -1.4002 |
| logSw: | -2.8078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.351 |
| InChI Key: | WCYWYTONCBEHQT-UHFFFAOYSA-N |