(3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone

C115H79Cl2F6N15O15S — CID 157465661

About (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone

(3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 157465661) has the molecular formula C115H79Cl2F6N15O15S and a molecular weight of 2127.95 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 157465661
• Molecular Formula: C115H79Cl2F6N15O15S
• Molecular Weight: 2127.95 g/mol
• Exact Mass: 2125.49
• IUPAC Name: (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone
• SMILES: N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/2C17H11F3N2O3.C17H11N3O2.2C16H11ClN2O2.C16H12N2O2.C16H12N2OS/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;17-13-5-3-12(4-6-13)16(20)19-10-9-14(18-19)7-8-15-2-1-11-21-15;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h2*1-11H;1-11H;2*1-11H;2*1-12H/b7-6+;8-7+;2*7-6+;8-7+;2*9-8+
• InChIKey: BULDZFMTWSWTLG-ISEICQPWSA-N
• XLogP: 26.79
• TPSA: 365.32 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.95
LogP ≤ 5	26.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone (CID 157465661) is (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone is N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccc(OC(F)(F)F)c1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1)n1ccc(/C=C/c2ccco2)n1.O=C(c1ccccc1OC(F)(F)F)n1ccc(/C=C/c2ccco2)n1.O=C(c1cccs1)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

The InChIKey is BULDZFMTWSWTLG-ISEICQPWSA-N. The full InChI is InChI=1S/2C17H11F3N2O3.C17H11N3O2.2C16H11ClN2O2.C16H12N2O2.C16H12N2OS/c18-17(19,20)25-15-4-1-3-12(11-15)16(23)22-9-8-13(21-22)6-7-14-5-2-10-24-14;18-17(19,20)25-15-6-2-1-5-14(15)16(23)22-10-9-12(21-22)7-8-13-4-3-11-24-13;18-12-13-3-1-4-14(11-13)17(21)20-9-8-15(19-20)6-7-16-5-2-10-22-16;17-13-4-1-3-12(11-13)16(20)19-9-8-14(18-19)6-7-15-5-2-10-21-15;17-13-5-3-12(4-6-13)16(20)19-10-9-14(18-19)7-8-15-2-1-11-21-15;19-16(13-5-2-1-3-6-13)18-11-10-14(17-18)8-9-15-7-4-12-20-15;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h2*1-11H;1-11H;2*1-11H;2*1-12H/b7-6+;8-7+;2*7-6+;8-7+;2*9-8+.

What are the key properties of (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

(3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 2127.95 g/mol, XLogP of 26.79, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzonitrile;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-phenylmethanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 157465661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).