N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C15H13N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C15H13N4OF3 |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C/c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C15H13F3N4O/c16-15(17,18)11-6-2-1-4-9(11)8-19-22-14(23)13-10-5-3-7-12(10)20-21-13/h1-2,4,6,8H,3,5,7H2,(H,20,21)(H,22,23) |
| InChIK | ADFGNYSLQGRWKO-UHFFFAOYSA-N |
| TotalMolweight | 322.289 |
| Molweight | 322.289 |
| MonoisotopicMass | 322.104145 |
| CLogP | 2.8663 |
| CLogS | -3.942 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 232.56 |
| Relative PSA | 0.26217 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -3.7054 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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