N-phenyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide
Formula:C16H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide is a drug-like molecule.
| MolName | N-phenyl-5-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide |
| MolecularFormula | C16H13N3OS |
| Smiles | O=C(Nc1ccccc1)n1nccc1/C=C/c1cccs1 |
| InChI | InChI=1S/C16H13N3OS/c20-16(18-13-5-2-1-3-6-13)19-14(10-11-17-19)8-9-15-7-4-12-21-15/h1-12H,(H,18,20) |
| InChIK | XESFYGSPMQKAMH-UHFFFAOYSA-N |
| TotalMolweight | 295.365 |
| Molweight | 295.365 |
| MonoisotopicMass | 295.077932 |
| CLogP | 3.3989 |
| CLogS | -4.695 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.39 |
| Relative PSA | 0.26981 |
| PolarSurfaceArea | 75.16 |
| Druglikeness | 5.8091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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