N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y508-9686 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C20 H21 Cl F N5 O |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])F)n1)NC(/C=C/c1cnn(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4987 |
| logD: | 2.4987 |
| logSw: | -3.229 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.489 |
| InChI Key: | JEFAQXDDIBDQAD-UHFFFAOYSA-N |