3-(3-nitrophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Formula:C19H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-nitrophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | 3-(3-nitrophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C19H15N5O3 |
| Smiles | [O-][N+](c1cc(-c2n[nH]c(C(N/N=C\C=C\c3ccccc3)=O)c2)ccc1)=O |
| InChI | InChI=1S/C19H15N5O3/c25-19(23-20-11-5-8-14-6-2-1-3-7-14)18-13-17(21-22-18)15-9-4-10-16(12-15)24(26)27/h1-13H,(H,21,22)(H,23,25) |
| InChIK | XSRIWPBWVPPKMP-UHFFFAOYSA-N |
| TotalMolweight | 361.36 |
| Molweight | 361.36 |
| MonoisotopicMass | 361.11749 |
| CLogP | 1.9961 |
| CLogS | -4.848 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 285.25 |
| Relative PSA | 0.32039 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | 0.52448 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-(3-nitrophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide | 2 - 3-(3-nitrophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
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