(4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C97H80ClF3N12O9S4 — CID 158616892

About (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

(4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 158616892) has the molecular formula C97H80ClF3N12O9S4 and a molecular weight of 1778.50 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 158616892
• Molecular Formula: C97H80ClF3N12O9S4
• Molecular Weight: 1778.50 g/mol
• Exact Mass: 1776.47
• IUPAC Name: (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
• SMILES: COc1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(C1CC1)n1ccc(/C=C/c2cccs2)n1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2cccs2)n1
• InChI: InChI=1S/C19H13F3N2O2.C18H20N2O.C17H14N2O2S.C16H11ClN2OS.C14H10N2O2S.C13H12N2OS/c20-19(21,22)26-17-9-5-4-8-16(17)18(25)24-13-12-15(23-24)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;1-21-15-7-4-13(5-8-15)17(20)19-11-10-14(18-19)6-9-16-3-2-12-22-16;17-13-5-3-12(4-6-13)16(20)19-10-9-14(18-19)7-8-15-2-1-11-21-15;17-14(13-4-1-9-18-13)16-8-7-11(15-16)5-6-12-3-2-10-19-12;16-13(10-3-4-10)15-8-7-11(14-15)5-6-12-2-1-9-17-12/h1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2;2-12H,1H3;1-11H;1-10H;1-2,5-10H,3-4H2/b11-10+;12-11+;9-6+;8-7+;2*6-5+
• InChIKey: HXMSTXUQGPBBDI-QKDSPULQSA-N
• XLogP: 23.75
• TPSA: 240.94 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1778.50
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 158616892) is (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is COc1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(C1CC1)n1ccc(/C=C/c2cccs2)n1.O=C(C1CCCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2cccs2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2cccs2)n1.

What is the InChIKey of (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?

The InChIKey is HXMSTXUQGPBBDI-QKDSPULQSA-N. The full InChI is InChI=1S/C19H13F3N2O2.C18H20N2O.C17H14N2O2S.C16H11ClN2OS.C14H10N2O2S.C13H12N2OS/c20-19(21,22)26-17-9-5-4-8-16(17)18(25)24-13-12-15(23-24)11-10-14-6-2-1-3-7-14;21-18(16-9-5-2-6-10-16)20-14-13-17(19-20)12-11-15-7-3-1-4-8-15;1-21-15-7-4-13(5-8-15)17(20)19-11-10-14(18-19)6-9-16-3-2-12-22-16;17-13-5-3-12(4-6-13)16(20)19-10-9-14(18-19)7-8-15-2-1-11-21-15;17-14(13-4-1-9-18-13)16-8-7-11(15-16)5-6-12-3-2-10-19-12;16-13(10-3-4-10)15-8-7-11(14-15)5-6-12-2-1-9-17-12/h1-13H;1,3-4,7-8,11-14,16H,2,5-6,9-10H2;2-12H,1H3;1-11H;1-10H;1-2,5-10H,3-4H2/b11-10+;12-11+;9-6+;8-7+;2*6-5+.

What are the key properties of (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?

(4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 1778.50 g/mol, XLogP of 23.75, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;cyclohexyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;cyclopropyl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 158616892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).