N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V024-4796 |
| Compound Name: | N-cyclopropyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N'-[4-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 544.6 |
| Molecular Formula: | C28 H32 F4 N6 O |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(C2CC2)C(Nc2ccc(cc2)C(F)(F)F)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.5894 |
| logD: | 3.5207 |
| logSw: | -5.4551 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.787 |
| InChI Key: | BDSMPTUMRGBFOS-UHFFFAOYSA-N |