N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1-ethyl-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-ethyl-1H-pyrazol-4-yl)prop-2-enamide
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8923 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-3-(1-ethyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C20 H21 Cl F N5 O |
| Smiles: | CCn1cc(/C=C/C(Nc2c(C)nn(Cc3c(cccc3[Cl])F)c2C)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 2.5622 |
| logD: | 2.5621 |
| logSw: | -3.2918 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.504 |
| InChI Key: | OIQDTCYCHFHMJO-UHFFFAOYSA-N |