3-{4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
3-{4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6139 |
| Compound Name: | 3-{4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 380.8 |
| Molecular Formula: | C17 H18 Cl F N4 O3 |
| Smiles: | Cn1cc(C(O)=O)c(C(N2CCN(CC2)Cc2ccc(cc2[Cl])F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6384 |
| logD: | -1.9364 |
| logSw: | -2.6225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.191 |
| InChI Key: | WHBQWAYTPFGFGY-UHFFFAOYSA-N |