bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

C119H100Cl4N14O9 — CID 160517970

About bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (PubChem CID 160517970) has the molecular formula C119H100Cl4N14O9 and a molecular weight of 2012.01 g/mol. Its IUPAC name is bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
• PubChem CID: 160517970
• Molecular Formula: C119H100Cl4N14O9
• Molecular Weight: 2012.01 g/mol
• Exact Mass: 2008.66
• IUPAC Name: bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
• SMILES: C=C(C)C(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CC1)n1ccc(/C=C/c2ccccc2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C19H16N2O2.2C18H13ClN2O.C18H14N2O.C16H18N2O2.C15H12Cl2N2O.C15H14N2O/c1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;2*19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;1-10(2)15(20)19-11(8-9-18-19)6-7-12-13(16)4-3-5-14(12)17;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12/h2-14H,1H3;2*1-13H;1-14H;3,6-11,13H,1-2,4-5,12H2;3-9H,1H2,2H3;1-6,9-11,13H,7-8H2/b10-7+;2*11-10+;12-11+;8-7+;7-6+;9-6+
• InChIKey: QTXCRYSRJAWBSJ-RXROWEKHSA-N
• XLogP: 27.83
• TPSA: 266.60 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.01
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The IUPAC name of bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (CID 160517970) is bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

What is the SMILES notation for bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The canonical SMILES for bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is C=C(C)C(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(C1CC1)n1ccc(/C=C/c2ccccc2)n1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The InChIKey is QTXCRYSRJAWBSJ-RXROWEKHSA-N. The full InChI is InChI=1S/C19H16N2O2.2C18H13ClN2O.C18H14N2O.C16H18N2O2.C15H12Cl2N2O.C15H14N2O/c1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;2*19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;19-16(12-13-4-1-2-5-13)18-10-9-14(17-18)7-8-15-6-3-11-20-15;1-10(2)15(20)19-11(8-9-18-19)6-7-12-13(16)4-3-5-14(12)17;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12/h2-14H,1H3;2*1-13H;1-14H;3,6-11,13H,1-2,4-5,12H2;3-9H,1H2,2H3;1-6,9-11,13H,7-8H2/b10-7+;2*11-10+;12-11+;8-7+;7-6+;9-6+.

What are the key properties of bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone has a molecular weight of 2012.01 g/mol, XLogP of 27.83, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone);2-cyclopentyl-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-2-methylprop-2-en-1-one;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 160517970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).