methyl N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(3-methylbenzamido)alaninate
Chemical Structure Depiction of
methyl N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(3-methylbenzamido)alaninate
methyl N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(3-methylbenzamido)alaninate
Compound characteristics
| Compound ID: | 8602-0095 |
| Compound Name: | methyl N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(3-methylbenzamido)alaninate |
| Molecular Weight: | 457.41 |
| Molecular Formula: | C22 H18 F3 N5 O3 |
| Smiles: | Cc1cccc(c1)C(NC(C(=O)OC)(C(F)(F)F)Nc1c(C#N)cnn1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0987 |
| logD: | 2.5982 |
| logSw: | -4.2829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.494 |
| InChI Key: | UDICYRLTOUNYGA-NRFANRHFSA-N |