N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-3-(4-methylpiperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-3-(4-methylpiperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide
N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-3-(4-methylpiperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-7088 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-3-(4-methylpiperidine-1-sulfonyl)-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C18 H22 Cl F N4 O3 S |
| Smiles: | CC1CCN(CC1)S(c1c(cn(C)n1)C(NCc1ccc(c(c1)[Cl])F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6932 |
| logD: | 2.6927 |
| logSw: | -3.6025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.493 |
| InChI Key: | VYOBHTPKOGJKDP-UHFFFAOYSA-N |