1-[(4-bromophenyl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C16H13N4O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(4-bromophenyl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-bromophenyl)methyl]-N-[(Z)-furan-2-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C16H13N4O2Br |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Br)cc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H13BrN4O2/c17-13-5-3-12(4-6-13)11-21-8-7-15(20-21)16(22)19-18-10-14-2-1-9-23-14/h1-10H,11H2,(H,19,22) |
| InChIK | DWQWSTWNMPZNKX-UHFFFAOYSA-N |
| TotalMolweight | 373.209 |
| Molweight | 373.209 |
| MonoisotopicMass | 372.022187 |
| CLogP | 2.5893 |
| CLogS | -3.818 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.79 |
| Relative PSA | 0.26465 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 5.0801 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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