3-{4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6290 |
| Compound Name: | 3-{4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 397.26 |
| Molecular Formula: | C17 H18 Cl2 N4 O3 |
| Smiles: | Cn1cc(C(O)=O)c(C(N2CCN(CC2)Cc2ccc(c(c2)[Cl])[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0766 |
| logD: | -1.4981 |
| logSw: | -2.9167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.191 |
| InChI Key: | QYNCRYLPXVGWLT-UHFFFAOYSA-N |