N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C14H12N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C14H12N4OCl2 |
| Smiles | O=C(c1n[nH]c2c1CCC2)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C14H12Cl2N4O/c15-10-5-4-8(6-11(10)16)7-17-20-14(21)13-9-2-1-3-12(9)18-19-13/h4-7H,1-3H2,(H,18,19)(H,20,21) |
| InChIK | RJTGATVEWPKIKE-UHFFFAOYSA-N |
| TotalMolweight | 323.182 |
| Molweight | 323.182 |
| MonoisotopicMass | 322.038815 |
| CLogP | 3.23 |
| CLogS | -4.636 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 233.94 |
| Relative PSA | 0.26062 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.5052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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