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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone

C104H73F6N15O12S — CID 158778679

About 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone

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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 158778679) has the molecular formula C104H73F6N15O12S and a molecular weight of 1870.88 g/mol. Its IUPAC name is 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 158778679
• Molecular Formula: C104H73F6N15O12S
• Molecular Weight: 1870.88 g/mol
• Exact Mass: 1869.52
• IUPAC Name: 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]-(4-pyrazol-1-ylphenyl)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(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)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/C21H16N4O.2C17H11F3N2O3.C17H11N3O2.C16H12N2O2.C16H12N2OS/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;18-17(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;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/h1-16H;2*1-11H;1-11H;2*1-12H/b10-7+;7-6+;8-7+;7-6+;2*9-8+
• InChIKey: IQUHGGZSGGHIIQ-GPSYUYDSSA-N
• XLogP: 22.74
• TPSA: 321.97 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1870.88
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone (CID 158778679) is 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for 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]-(4-pyrazol-1-ylphenyl)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(-n2cccn2)cc1)n1ccc(/C=C/c2ccccc2)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-[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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

The InChIKey is IQUHGGZSGGHIIQ-GPSYUYDSSA-N. The full InChI is InChI=1S/C21H16N4O.2C17H11F3N2O3.C17H11N3O2.C16H12N2O2.C16H12N2OS/c26-21(18-8-11-20(12-9-18)24-15-4-14-22-24)25-16-13-19(23-25)10-7-17-5-2-1-3-6-17;18-17(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;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/h1-16H;2*1-11H;1-11H;2*1-12H/b10-7+;7-6+;8-7+;7-6+;2*9-8+.

What are the key properties of 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone?

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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 1870.88 g/mol, XLogP of 22.74, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-(4-pyrazol-1-ylphenyl)methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 158778679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).