N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
Formula:C16H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| MolecularFormula | C16H15N5O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2n[nH]c3c2CCC3)=O)cccc1)=O |
| InChI | InChI=1S/C16H15N5O3/c22-16(15-12-7-3-8-13(12)18-19-15)20-17-10-4-6-11-5-1-2-9-14(11)21(23)24/h1-2,4-6,9-10H,3,7-8H2,(H,18,19)(H,20,22) |
| InChIK | UEHIRVUORJLNGF-UHFFFAOYSA-N |
| TotalMolweight | 325.327 |
| Molweight | 325.327 |
| MonoisotopicMass | 325.11749 |
| CLogP | 1.1147 |
| CLogS | -3.916 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 253.27 |
| Relative PSA | 0.36084 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | -1.6019 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
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