3-[(ethyl{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzonitrile
Chemical Structure Depiction of
3-[(ethyl{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzonitrile
3-[(ethyl{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzonitrile
Compound characteristics
| Compound ID: | V026-7944 |
| Compound Name: | 3-[(ethyl{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]benzonitrile |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C26 H31 F N6 |
| Salt: | not_available |
| Smiles: | CCN(Cc1cccc(C#N)c1)Cc1c(C)nn(c2ccc(cc2)F)c1N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.757 |
| logD: | 0.4326 |
| logSw: | -4.0428 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.884 |
| InChI Key: | LEJDQXJOLYRYJN-UHFFFAOYSA-N |