4-[(cyclopropylimino)methyl]-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(cyclopropylimino)methyl]-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
4-[(cyclopropylimino)methyl]-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8007-3703 |
| Compound Name: | 4-[(cyclopropylimino)methyl]-2-(4-nitrophenyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 340.26 |
| Molecular Formula: | C14 H11 F3 N4 O3 |
| Smiles: | C1CC1/N=C/C1=C(C(F)(F)F)NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5751 |
| logD: | -3.2902 |
| logSw: | -2.8751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.278 |
| InChI Key: | BTWSVSVQBFIJNC-UHFFFAOYSA-N |