(5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C99H76Cl2F6N12O12S6 — CID 162011853

About (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

(5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 162011853) has the molecular formula C99H76Cl2F6N12O12S6 and a molecular weight of 2003.06 g/mol. Its IUPAC name is (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 162011853
• Molecular Formula: C99H76Cl2F6N12O12S6
• Molecular Weight: 2003.06 g/mol
• Exact Mass: 2000.33
• IUPAC Name: (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• SMILES: COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.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(F)(F)F)c1)n1ccc(/C=C/c2cccs2)n1
• InChI: InChI=1S/C18H14N2O4.2C17H11F3N2O2S.C16H11ClN2OS.C16H18N2OS.C15H11ClN2O2S2/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)24-14-4-1-3-12(11-14)16(23)22-9-8-13(21-22)6-7-15-5-2-10-25-15;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;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;1-20-13-12(9-22-14(13)16)15(19)18-7-6-10(17-18)4-5-11-3-2-8-21-11/h2-12H,1H3;2*1-11H;1-11H;4,7-13H,1-3,5-6H2;2-9H,1H3/b8-7+;7-6+;8-5+;7-6+;9-8+;5-4+
• InChIKey: YTOVMPMLSQBYTR-PRJGMEHYSA-N
• XLogP: 25.85
• TPSA: 276.47 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.06
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 162011853) is (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

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

The canonical SMILES for (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COc1c(C(=O)n2ccc(/C=C/c3cccs3)n2)csc1Cl.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(F)(F)F)c1)n1ccc(/C=C/c2cccs2)n1.

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

The InChIKey is YTOVMPMLSQBYTR-PRJGMEHYSA-N. The full InChI is InChI=1S/C18H14N2O4.2C17H11F3N2O2S.C16H11ClN2OS.C16H18N2OS.C15H11ClN2O2S2/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)24-14-4-1-3-12(11-14)16(23)22-9-8-13(21-22)6-7-15-5-2-10-25-15;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;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;1-20-13-12(9-22-14(13)16)15(19)18-7-6-10(17-18)4-5-11-3-2-8-21-11/h2-12H,1H3;2*1-11H;1-11H;4,7-13H,1-3,5-6H2;2-9H,1H3/b8-7+;7-6+;8-5+;7-6+;9-8+;5-4+.

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

(5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 2003.06 g/mol, XLogP of 25.85, 22 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-4-methoxythiophen-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;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 162011853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).