(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-phenylprop-2-enamide
Formula:C25H17N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-phenylprop-2-enamide |
| MolecularFormula | C25H17N4OCl |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H17ClN4O/c26-21-13-11-18(12-14-21)24-20(17-30(29-24)23-9-5-2-6-10-23)15-19(16-27)25(31)28-22-7-3-1-4-8-22/h1-15,17H,(H,28,31) |
| InChIK | PXMGZYPJFQFBKB-UHFFFAOYSA-N |
| TotalMolweight | 424.89 |
| Molweight | 424.89 |
| MonoisotopicMass | 424.109088 |
| CLogP | 4.5133 |
| CLogS | -6.019 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.55 |
| Relative PSA | 0.1686 |
| PolarSurfaceArea | 70.71 |
| Druglikeness | 0.51179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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