(5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C114H88Cl2F5N15O15S8 — CID 160947627

About (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

(5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 160947627) has the molecular formula C114H88Cl2F5N15O15S8 and a molecular weight of 2330.48 g/mol. Its IUPAC name is (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 160947627
• Molecular Formula: C114H88Cl2F5N15O15S8
• Molecular Weight: 2330.48 g/mol
• Exact Mass: 2327.36
• IUPAC Name: (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• SMILES: CCc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CCCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(OC(O)(F)F)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1
• InChI: InChI=1S/C18H14N2O4.C17H11F3N2O2S.C17H12F2N2O3S.C16H13ClN2OS2.C16H11ClN2OS.C16H18N2OS.C14H9N3O3S2/c1-23-18(22)14-5-2-4-13(12-14)17(21)20-10-9-15(19-20)7-8-16-6-3-11-24-16;18-17(19,20)24-14-6-3-12(4-7-14)16(23)22-10-9-13(21-22)5-8-15-2-1-11-25-15;18-17(19,23)24-14-4-1-3-12(11-14)16(22)21-9-8-13(20-21)6-7-15-5-2-10-25-15;1-2-13-14(10-22-15(13)17)16(20)19-8-7-11(18-19)5-6-12-4-3-9-21-12;17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;18-14(10-8-13(17(19)20)22-9-10)16-6-5-11(15-16)3-4-12-2-1-7-21-12/h2-12H,1H3;1-11H;1-11,23H;3-10H,2H2,1H3;1-11H;4,7-13H,1-3,5-6H2;1-9H/b8-7+;8-5+;7-6+;6-5+;7-6+;9-8+;4-3+
• InChIKey: SVICNXUOAWSEDS-LSZDSTTASA-N
• XLogP: 29.19
• TPSA: 365.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.48
LogP ≤ 5	29.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 160947627) is (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is CCc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CCCCC1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1cccc(OC(O)(F)F)c1)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2cccs2)n1.

What is the InChIKey of (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The InChIKey is SVICNXUOAWSEDS-LSZDSTTASA-N. The full InChI is InChI=1S/C18H14N2O4.C17H11F3N2O2S.C17H12F2N2O3S.C16H13ClN2OS2.C16H11ClN2OS.C16H18N2OS.C14H9N3O3S2/c1-23-18(22)14-5-2-4-13(12-14)17(21)20-10-9-15(19-20)7-8-16-6-3-11-24-16;18-17(19,20)24-14-6-3-12(4-7-14)16(23)22-10-9-13(21-22)5-8-15-2-1-11-25-15;18-17(19,23)24-14-4-1-3-12(11-14)16(22)21-9-8-13(20-21)6-7-15-5-2-10-25-15;1-2-13-14(10-22-15(13)17)16(20)19-8-7-11(18-19)5-6-12-4-3-9-21-12;17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;18-14(10-8-13(17(19)20)22-9-10)16-6-5-11(15-16)3-4-12-2-1-7-21-12/h2-12H,1H3;1-11H;1-11,23H;3-10H,2H2,1H3;1-11H;4,7-13H,1-3,5-6H2;1-9H/b8-7+;8-5+;7-6+;6-5+;7-6+;9-8+;4-3+.

What are the key properties of (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

(5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 2330.48 g/mol, XLogP of 29.19, 27 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-4-ethylthiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[difluoro(hydroxy)methoxy]phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(5-nitrothiophen-3-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 160947627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).