N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
Formula:C18H13N5O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C18H13N5O3Cl2 |
| Smiles | [O-][N+](c1ccc(Cn(cc2)nc2C(N/N=C\c(cc2)cc(Cl)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C18H13Cl2N5O3/c19-15-6-3-13(9-16(15)20)10-21-22-18(26)17-7-8-24(23-17)11-12-1-4-14(5-2-12)25(27)28/h1-10H,11H2,(H,22,26) |
| InChIK | KFUWMNQOLJVADW-UHFFFAOYSA-N |
| TotalMolweight | 418.239 |
| Molweight | 418.239 |
| MonoisotopicMass | 417.039544 |
| CLogP | 2.9658 |
| CLogS | -5.234 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 302.98 |
| Relative PSA | 0.27814 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | 2.0962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
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