N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-phenyl-1H-pyrazole-5-carboxamide
Formula:C17H14N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-phenyl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H14N4O2 |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C17H14N4O2/c22-17(21-18-10-4-8-14-9-5-11-23-14)16-12-15(19-20-16)13-6-2-1-3-7-13/h1-12H,(H,19,20)(H,21,22) |
| InChIK | CTIWDZKPHMBWNV-UHFFFAOYSA-N |
| TotalMolweight | 306.324 |
| Molweight | 306.324 |
| MonoisotopicMass | 306.111676 |
| CLogP | 2.1064 |
| CLogS | -4.07 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 251.27 |
| Relative PSA | 0.2988 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 5.2053 |
| Mutagenic | high |
| 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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