(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C107H80ClF6N13O13S3 — CID 159629109

About (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 159629109) has the molecular formula C107H80ClF6N13O13S3 and a molecular weight of 2001.54 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 159629109
• Molecular Formula: C107H80ClF6N13O13S3
• Molecular Weight: 2001.54 g/mol
• Exact Mass: 1999.48
• IUPAC Name: (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• SMILES: COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C20H18N2O3.2C19H13F3N2O2.C17H14N2O2S.C16H11ClN2OS.C16H11N3O3S/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;20-19(21,22)26-17-8-4-7-15(13-17)18(25)24-12-11-16(23-24)10-9-14-5-2-1-3-6-14;20-19(21,22)26-17-10-7-15(8-11-17)18(25)24-13-12-16(23-24)9-6-14-4-2-1-3-5-14;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;17-15-6-2-1-5-14(15)16(20)19-10-9-12(18-19)7-8-13-4-3-11-21-13;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/h3-14H,1-2H3;2*1-13H;2-12H,1H3;1-11H;1-11H/b9-8+;10-9+;2*9-6+;8-7+;7-6+
• InChIKey: MOWRJDYZDFVAKR-PZASJACESA-N
• XLogP: 25.02
• TPSA: 298.63 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.54
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 159629109) is (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1ccc(OC(F)(F)F)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2cccs2)n1.O=C(c1csc([N+](=O)[O-])c1)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The InChIKey is MOWRJDYZDFVAKR-PZASJACESA-N. The full InChI is InChI=1S/C20H18N2O3.2C19H13F3N2O2.C17H14N2O2S.C16H11ClN2OS.C16H11N3O3S/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;20-19(21,22)26-17-8-4-7-15(13-17)18(25)24-12-11-16(23-24)10-9-14-5-2-1-3-6-14;20-19(21,22)26-17-10-7-15(8-11-17)18(25)24-13-12-16(23-24)9-6-14-4-2-1-3-5-14;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;17-15-6-2-1-5-14(15)16(20)19-10-9-12(18-19)7-8-13-4-3-11-21-13;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/h3-14H,1-2H3;2*1-13H;2-12H,1H3;1-11H;1-11H/b9-8+;10-9+;2*9-6+;8-7+;7-6+.

What are the key properties of (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

(2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 2001.54 g/mol, XLogP of 25.02, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;(5-nitrothiophen-3-yl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 159629109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).