5-amino-3-(1-methyl-1H-pyrrol-2-yl)-1-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of
5-amino-3-(1-methyl-1H-pyrrol-2-yl)-1-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile
5-amino-3-(1-methyl-1H-pyrrol-2-yl)-1-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8012-6401 |
| Compound Name: | 5-amino-3-(1-methyl-1H-pyrrol-2-yl)-1-phenyl-3-(trifluoromethyl)-2,3-dihydro-1H-pyrazole-4-carbonitrile |
| Molecular Weight: | 333.31 |
| Molecular Formula: | C16 H14 F3 N5 |
| Smiles: | Cn1cccc1C1(C(C#N)=C(N)N(c2ccccc2)N1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2932 |
| logD: | 3.2932 |
| logSw: | -3.3806 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 56.727 |
| InChI Key: | NXEPAOZYXLKMBK-OAHLLOKOSA-N |