4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4357-1367 |
| Compound Name: | 4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 476.27 |
| Molecular Formula: | C19 H17 I N4 O3 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)[N+]([O-])=O)N(C)C)C(N(c2ccc(cc2)I)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7718 |
| logD: | 4.7718 |
| logSw: | -4.7229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.171 |
| InChI Key: | KMTNZQVQXLDSLR-UHFFFAOYSA-N |