N-[(Z)-anthracen-9-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C22H18N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C22H18N4O |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C22H18N4O/c27-22(21-18-10-5-11-20(18)24-25-21)26-23-13-19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19/h1-4,6-9,12-13H,5,10-11H2,(H,24,25)(H,26,27) |
| InChIK | LTVIWIRCMVUIMZ-UHFFFAOYSA-N |
| TotalMolweight | 354.412 |
| Molweight | 354.412 |
| MonoisotopicMass | 354.148061 |
| CLogP | 4.4068 |
| CLogS | -6.376 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.3 |
| Relative PSA | 0.22391 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.4846 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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