3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 1187-2037 |
| Compound Name: | 3-[5-(3-chlorophenyl)furan-2-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C25 H19 Cl N4 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C(=C\c1ccc(c2cccc(c2)[Cl])o1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8814 |
| logD: | 2.0636 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.337 |
| InChI Key: | FBTGWBNHZGWBKD-UHFFFAOYSA-N |