2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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

C117H98ClF3N16O19S4 — CID 161421272

About 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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 161421272) has the molecular formula C117H98ClF3N16O19S4 and a molecular weight of 2252.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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: 161421272
• Molecular Formula: C117H98ClF3N16O19S4
• Molecular Weight: 2252.88 g/mol
• Exact Mass: 2250.57
• IUPAC Name: 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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.COCCOCC(=O)n1ccc(/C=C/c2ccco2)n1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1
• InChI: InChI=1S/C19H18N4O3.C18H16N2O4.C18H14N2O3S.C17H13ClN2O2.C17H11F3N2O2S.C14H16N2O4.C14H10N2OS2/c24-19(15-3-6-18(20-14-15)22-9-12-25-13-10-22)23-8-7-16(21-23)4-5-17-2-1-11-26-17;1-22-15-7-8-16(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;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;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;1-18-9-10-19-11-14(17)16-7-6-12(15-16)4-5-13-3-2-8-20-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h1-8,11,14H,9-10,12-13H2;3-12H,1-2H3;2-12H,1H3;1-11H,12H2;1-11H;2-8H,9-11H2,1H3;1-10H/b5-4+;6-5+;9-8+;2*8-7+;5-4+;6-5+
• InChIKey: VWTOKNNMOFJOTN-YCPWXGKWSA-N
• XLogP: 24.21
• TPSA: 394.60 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2252.88
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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 161421272) is 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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.COCCOCC(=O)n1ccc(/C=C/c2ccco2)n1.COc1ccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c(OC)c1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccco2)n1.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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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 VWTOKNNMOFJOTN-YCPWXGKWSA-N. The full InChI is InChI=1S/C19H18N4O3.C18H16N2O4.C18H14N2O3S.C17H13ClN2O2.C17H11F3N2O2S.C14H16N2O4.C14H10N2OS2/c24-19(15-3-6-18(20-14-15)22-9-12-25-13-10-22)23-8-7-16(21-23)4-5-17-2-1-11-26-17;1-22-15-7-8-16(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;18-14-5-3-13(4-6-14)12-17(21)20-10-9-15(19-20)7-8-16-2-1-11-22-16;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;1-18-9-10-19-11-14(17)16-7-6-12(15-16)4-5-13-3-2-8-20-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h1-8,11,14H,9-10,12-13H2;3-12H,1-2H3;2-12H,1H3;1-11H,12H2;1-11H;2-8H,9-11H2,1H3;1-10H/b5-4+;6-5+;9-8+;2*8-7+;5-4+;6-5+.

What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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 2252.88 g/mol, XLogP of 24.21, 31 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]ethanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(2-methoxyethoxy)ethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;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 161421272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).