N-(4-chlorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide
Formula:C16H12N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-5-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide |
| MolecularFormula | C16H12N3OClS |
| Smiles | O=C(Nc(cc1)ccc1Cl)n1nccc1/C=C/c1cccs1 |
| InChI | InChI=1S/C16H12ClN3OS/c17-12-3-5-13(6-4-12)19-16(21)20-14(9-10-18-20)7-8-15-2-1-11-22-15/h1-11H,(H,19,21) |
| InChIK | CINRSDHICCPQFZ-UHFFFAOYSA-N |
| TotalMolweight | 329.81 |
| Molweight | 329.81 |
| MonoisotopicMass | 329.038959 |
| CLogP | 4.0049 |
| CLogS | -5.431 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.81 |
| Relative PSA | 0.25302 |
| PolarSurfaceArea | 75.16 |
| Druglikeness | 5.8478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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