(4E)-2-(4-chlorophenyl)-4-{[(3-methoxypropyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
(4E)-2-(4-chlorophenyl)-4-{[(3-methoxypropyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
(4E)-2-(4-chlorophenyl)-4-{[(3-methoxypropyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8003-4123 |
| Compound Name: | (4E)-2-(4-chlorophenyl)-4-{[(3-methoxypropyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 307.78 |
| Molecular Formula: | C15 H18 Cl N3 O2 |
| Smiles: | CC1\C(=C/NCCCOC)C(N(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.93 |
| logD: | 1.93 |
| logSw: | -3.17 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.94 |
| InChI Key: | GVQMBOAQWREQGN-UHFFFAOYSA-N |