(E)-2-cyano-N-cyclopropyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
Formula:C22H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopropyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopropyl-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide |
| MolecularFormula | C22H18N4O |
| Smiles | N#C/C(/C(NC1CC1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C22H18N4O/c23-14-17(22(27)24-19-11-12-19)13-18-15-26(20-9-5-2-6-10-20)25-21(18)16-7-3-1-4-8-16/h1-10,13,15,19H,11-12H2,(H,24,27) |
| InChIK | UGVBIQADBUFNNS-UHFFFAOYSA-N |
| TotalMolweight | 354.412 |
| Molweight | 354.412 |
| MonoisotopicMass | 354.148061 |
| CLogP | 2.7283 |
| CLogS | -4.54 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.89 |
| Relative PSA | 0.1976 |
| PolarSurfaceArea | 70.71 |
| Druglikeness | 1.276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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