2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

C104H85Cl2N13O9S3 — CID 157375576

About 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (PubChem CID 157375576) has the molecular formula C104H85Cl2N13O9S3 and a molecular weight of 1828.01 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

• Compound Name: 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
• PubChem CID: 157375576
• Molecular Formula: C104H85Cl2N13O9S3
• Molecular Weight: 1828.01 g/mol
• Exact Mass: 1825.51
• IUPAC Name: 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
• SMILES: COc1ccc(CC(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1nccc1/C=C/c1c(Cl)cccc1Cl.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C20H18N2O2.C18H14N2O.C18H20N2O.C16H10Cl2N2OS.C16H11N3O3S.C16H12N2OS/c1-24-19-11-8-17(9-12-19)15-20(23)22-14-13-18(21-22)10-7-16-5-3-2-4-6-16;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;21-18(14-16-8-4-5-9-16)20-13-12-17(19-20)11-10-15-6-2-1-3-7-15;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;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;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h2-14H,15H2,1H3;1-14H;1-3,6-7,10-13,16H,4-5,8-9,14H2;1-10H;1-11H;1-12H/b10-7+;12-11+;11-10+;2*7-6+;9-8+
• InChIKey: JFSDIXQIWALKLU-SCWWAVOUSA-N
• XLogP: 24.59
• TPSA: 261.71 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.01
LogP ≤ 5	24.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The IUPAC name of 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (CID 157375576) is 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

What is the SMILES notation for 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The canonical SMILES for 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is COc1ccc(CC(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(CC1CCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccs1)n1nccc1/C=C/c1c(Cl)cccc1Cl.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The InChIKey is JFSDIXQIWALKLU-SCWWAVOUSA-N. The full InChI is InChI=1S/C20H18N2O2.C18H14N2O.C18H20N2O.C16H10Cl2N2OS.C16H11N3O3S.C16H12N2OS/c1-24-19-11-8-17(9-12-19)15-20(23)22-14-13-18(21-22)10-7-16-5-3-2-4-6-16;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;21-18(14-16-8-4-5-9-16)20-13-12-17(19-20)11-10-15-6-2-1-3-7-15;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;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;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h2-14H,15H2,1H3;1-14H;1-3,6-7,10-13,16H,4-5,8-9,14H2;1-10H;1-11H;1-12H/b10-7+;12-11+;11-10+;2*7-6+;9-8+.

What are the key properties of 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone has a molecular weight of 1828.01 g/mol, XLogP of 24.59, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;phenyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 157375576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).