N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C16H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C16H16N4O |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H16N4O/c21-16(15-13-9-4-10-14(13)18-19-15)20-17-11-5-8-12-6-2-1-3-7-12/h1-3,5-8,11H,4,9-10H2,(H,18,19)(H,20,21) |
| InChIK | HCGOUBRDLPJVCP-UHFFFAOYSA-N |
| TotalMolweight | 280.33 |
| Molweight | 280.33 |
| MonoisotopicMass | 280.132411 |
| CLogP | 2.0363 |
| CLogS | -3.456 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.6 |
| Relative PSA | 0.26555 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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