(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

C85H67F3N10O12S5 — CID 161068072

About (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 161068072) has the molecular formula C85H67F3N10O12S5 and a molecular weight of 1637.86 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
• PubChem CID: 161068072
• Molecular Formula: C85H67F3N10O12S5
• Molecular Weight: 1637.86 g/mol
• Exact Mass: 1636.35
• IUPAC Name: (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
• SMILES: COC(=O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1
• InChI: InChI=1S/C18H16N2O4.C18H14N2O3S.C18H16N2O2S.C17H11F3N2O2S.C14H10N2OS2/c1-22-15-7-8-16(17(12-15)23-2)18(21)20-10-9-13(19-20)5-6-14-4-3-11-24-14;1-23-18(22)14-6-4-13(5-7-14)17(21)20-11-10-15(19-20)8-9-16-3-2-12-24-16;1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;18-17(19,20)24-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-25-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h3-12H,1-2H3;2-12H,1H3;2-12H,13H2,1H3;1-11H;1-10H/b6-5+;9-8+;9-6+;8-7+;6-5+
• InChIKey: UEHJAPQLYSNSOZ-QDAUWKFASA-N
• XLogP: 19.52
• TPSA: 250.81 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.86
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The IUPAC name of (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 161068072) is (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The canonical SMILES for (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is COC(=O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1.

What is the InChIKey of (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

The InChIKey is UEHJAPQLYSNSOZ-QDAUWKFASA-N. The full InChI is InChI=1S/C18H16N2O4.C18H14N2O3S.C18H16N2O2S.C17H11F3N2O2S.C14H10N2OS2/c1-22-15-7-8-16(17(12-15)23-2)18(21)20-10-9-13(19-20)5-6-14-4-3-11-24-14;1-23-18(22)14-6-4-13(5-7-14)17(21)20-11-10-15(19-20)8-9-16-3-2-12-24-16;1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;18-17(19,20)24-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-25-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h3-12H,1-2H3;2-12H,1H3;2-12H,13H2,1H3;1-11H;1-10H/b6-5+;9-8+;9-6+;8-7+;6-5+.

What are the key properties of (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?

(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone has a molecular weight of 1637.86 g/mol, XLogP of 19.52, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 161068072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).