1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C22H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C22H17N4OBr |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C22H17BrN4O/c23-20-9-6-16(7-10-20)15-27-12-11-21(26-27)22(28)25-24-14-17-5-8-18-3-1-2-4-19(18)13-17/h1-14H,15H2,(H,25,28) |
| InChIK | FRPUKDSEPMWRAS-UHFFFAOYSA-N |
| TotalMolweight | 433.308 |
| Molweight | 433.308 |
| MonoisotopicMass | 432.058572 |
| CLogP | 4.595 |
| CLogS | -5.742 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.7 |
| Relative PSA | 0.17849 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]pyrazole-3-carboxamide | 2 - 1-[(4-bromophenyl)methyl]-N-[(Z)-naphthalen-2-ylmethylideneamino]pyrazole-3-carboxamide
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