N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C17H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C17H14N4OS |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H14N4OS/c22-17(15-12-14(19-20-15)16-9-5-11-23-16)21-18-10-4-8-13-6-2-1-3-7-13/h1-12H,(H,19,20)(H,21,22) |
| InChIK | HZFNYAARYDZYJN-UHFFFAOYSA-N |
| TotalMolweight | 322.391 |
| Molweight | 322.391 |
| MonoisotopicMass | 322.088831 |
| CLogP | 2.9412 |
| CLogS | -4.309 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.52 |
| Relative PSA | 0.31582 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 7.5269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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