N-[(Z)-benzylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
Formula:C18H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C18H15N5O3 |
| Smiles | [O-][N+](c1ccc(Cn(cc2)nc2C(N/N=C\c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C18H15N5O3/c24-18(20-19-12-14-4-2-1-3-5-14)17-10-11-22(21-17)13-15-6-8-16(9-7-15)23(25)26/h1-12H,13H2,(H,20,24) |
| InChIK | KJNICAGKIBWOJB-UHFFFAOYSA-N |
| TotalMolweight | 349.349 |
| Molweight | 349.349 |
| MonoisotopicMass | 349.11749 |
| CLogP | 1.7538 |
| CLogS | -3.762 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 272.14 |
| Relative PSA | 0.30966 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | 2.0767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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