(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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

C108H85ClF6N14O13S3 — CID 162060337

About (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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

(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 162060337) has the molecular formula C108H85ClF6N14O13S3 and a molecular weight of 2032.59 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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: (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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: 162060337
• Molecular Formula: C108H85ClF6N14O13S3
• Molecular Weight: 2032.59 g/mol
• Exact Mass: 2030.52
• IUPAC Name: (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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: CN(C)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(N2CCOCC2)cc1)n1ccc(/C=C/c2ccccc2)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/C22H21N3O2.C18H17N3O2.C18H14N2O4.2C17H11F3N2O2S.C16H11ClN2OS/c26-22(19-7-10-21(11-8-19)24-14-16-27-17-15-24)25-13-12-20(23-25)9-6-18-4-2-1-3-5-18;1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-23-18(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/h1-13H,14-17H2;3-13H,1-2H3;2-12H,1H3;2*1-11H;1-11H/b9-6+;9-8+;8-7+;7-6+;8-5+;7-6+
• InChIKey: YZTAZLKVXRBCIX-CSDDBRTNSA-N
• XLogP: 23.96
• TPSA: 296.09 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2032.59
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 162060337) is (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 CN(C)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(N2CCOCC2)cc1)n1ccc(/C=C/c2ccccc2)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 (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 YZTAZLKVXRBCIX-CSDDBRTNSA-N. The full InChI is InChI=1S/C22H21N3O2.C18H17N3O2.C18H14N2O4.2C17H11F3N2O2S.C16H11ClN2OS/c26-22(19-7-10-21(11-8-19)24-14-16-27-17-15-24)25-13-12-20(23-25)9-6-18-4-2-1-3-5-18;1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-23-18(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/h1-13H,14-17H2;3-13H,1-2H3;2-12H,1H3;2*1-11H;1-11H/b9-6+;9-8+;8-7+;7-6+;8-5+;7-6+.

What are the key properties of (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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?

(3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 2032.59 g/mol, XLogP of 23.96, 23 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[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 162060337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).