[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

C115H79Cl2F9N16O15S2 — CID 162042788

About [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 162042788) has the molecular formula C115H79Cl2F9N16O15S2 and a molecular weight of 2231.02 g/mol. Its IUPAC name is [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
• PubChem CID: 162042788
• Molecular Formula: C115H79Cl2F9N16O15S2
• Molecular Weight: 2231.02 g/mol
• Exact Mass: 2228.46
• IUPAC Name: [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
• SMILES: Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1nccc1/C=C/c1c(Cl)cccc1Cl
• InChI: InChI=1S/3C17H11F3N2O3.C17H11N3O2.C16H10Cl2N2OS.C16H12N2O2.C15H13N3OS/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;17-13-3-1-4-14(18)12(13)7-6-11-8-9-19-20(11)16(21)15-5-2-10-22-15;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13/h3*1-11H;1-11H;1-10H;1-12H;2-11H,1H3/b7-6+;8-5+;8-7+;2*7-6+;9-8+;7-6+
• InChIKey: YXMOZMRVNXNWKS-QEOWLNCISA-N
• XLogP: 27.49
• TPSA: 366.34 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.02
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The IUPAC name of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 162042788) is [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

What is the SMILES notation for [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The canonical SMILES for [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1nccc1/C=C/c1c(Cl)cccc1Cl.

What is the InChIKey of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The InChIKey is YXMOZMRVNXNWKS-QEOWLNCISA-N. The full InChI is InChI=1S/3C17H11F3N2O3.C17H11N3O2.C16H10Cl2N2OS.C16H12N2O2.C15H13N3OS/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;17-13-3-1-4-14(18)12(13)7-6-11-8-9-19-20(11)16(21)15-5-2-10-22-15;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13/h3*1-11H;1-11H;1-10H;1-12H;2-11H,1H3/b7-6+;8-5+;8-7+;2*7-6+;9-8+;7-6+.

What are the key properties of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone has a molecular weight of 2231.02 g/mol, XLogP of 27.49, 24 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 162042788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).