5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6514 |
| Compound Name: | 5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C17 H19 Cl N4 O3 |
| Smiles: | Cn1c(C(N2CCN(CC2)Cc2cccc(c2)[Cl])=O)c(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6191 |
| logD: | -1.9556 |
| logSw: | -2.3732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.351 |
| InChI Key: | QBSWXFWYCMNNFU-UHFFFAOYSA-N |