2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

C124H100ClN17O12S3 — CID 159689015

About 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (PubChem CID 159689015) has the molecular formula C124H100ClN17O12S3 and a molecular weight of 2151.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
• PubChem CID: 159689015
• Molecular Formula: C124H100ClN17O12S3
• Molecular Weight: 2151.92 g/mol
• Exact Mass: 2149.66
• IUPAC Name: 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
• SMILES: COc1ccc(CC(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C21H20N4O2.C20H18N2O2.C19H15ClN2O.C16H11N3O3S.C16H12N2O2.2C16H12N2OS/c26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;1-24-19-11-8-17(9-12-19)15-20(23)22-14-13-18(21-22)10-7-16-5-3-2-4-6-16;20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;20-16(13-10-15(19(21)22)23-11-13)18-9-8-14(17-18)7-6-12-4-2-1-3-5-12;2*19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13/h1-11,16H,12-15H2;2-14H,15H2,1H3;1-13H,14H2;1-11H;3*1-12H/b8-6+;10-7+;11-8+;7-6+;2*9-8+;7-6+
• InChIKey: VWLUVONGFNPDDL-CWGWWDPUSA-N
• XLogP: 26.16
• TPSA: 335.10 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.92
LogP ≤ 5	26.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (CID 159689015) is 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is COc1ccc(CC(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

The InChIKey is VWLUVONGFNPDDL-CWGWWDPUSA-N. The full InChI is InChI=1S/C21H20N4O2.C20H18N2O2.C19H15ClN2O.C16H11N3O3S.C16H12N2O2.2C16H12N2OS/c26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;1-24-19-11-8-17(9-12-19)15-20(23)22-14-13-18(21-22)10-7-16-5-3-2-4-6-16;20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;20-16(13-10-15(19(21)22)23-11-13)18-9-8-14(17-18)7-6-12-4-2-1-3-5-12;2*19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13/h1-11,16H,12-15H2;2-14H,15H2,1H3;1-13H,14H2;1-11H;3*1-12H/b8-6+;10-7+;11-8+;7-6+;2*9-8+;7-6+.

What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone has a molecular weight of 2151.92 g/mol, XLogP of 26.16, 26 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 159689015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).