AC1NREDH
2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile
Also Known As: AG-205/33677017|2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile|2-[(4-chlorophenyl)(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]malononitrile|[(4-chlorophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile|2-((4-chlorophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl)malononitrile|2-[(4-Chloro-phenyl)-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-methyl]-malononitrile
| Molecular Formula | C14H11ClN4O |
|---|---|
| Molecular Weight | 286.06213 g/mol |
| LogP | 2.20886 |
| Topological Polar Surface Area | 89.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.06213 |
| Monoisotopic Mass | 286.06213 |
| Heavy Atoms | 20 |
| Complexity | 624.6231 |
Chemical Identifiers
| CAS Number | 89607-56-7 |
|---|---|
| SMILES | CC1=NNC(=O)C1C(C2=CC=C(C=C2)Cl)C(C#N)C#N |
Product Overview
AC1NREDH (CAS 89607-56-7), with molecular formula C14H11ClN4O and molecular weight 286.06213 g/mol. IUPAC: 2-[(4-chlorophenyl)-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)methyl]propanedinitrile.
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