4-({[2-(4-chlorophenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-({[2-(4-chlorophenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-({[2-(4-chlorophenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3536-0006 |
| Compound Name: | 4-({[2-(4-chlorophenyl)ethyl]amino}methylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C19 H17 Cl N4 O3 |
| Smiles: | CC1\C(=C/NCCc2ccc(cc2)[Cl])C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0447 |
| logD: | 3.044 |
| logSw: | -3.6366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.942 |
| InChI Key: | DXLAHTVUVJKSSW-UHFFFAOYSA-N |