cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C115H94F9N15O15 — CID 162041168

About cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 162041168) has the molecular formula C115H94F9N15O15 and a molecular weight of 2097.09 g/mol. Its IUPAC name is cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• PubChem CID: 162041168
• Molecular Formula: C115H94F9N15O15
• Molecular Weight: 2097.09 g/mol
• Exact Mass: 2095.69
• IUPAC Name: cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
• SMILES: N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CC1)N1CCC(/C=C/c2ccccc2)N1.O=C(C1CCC1)N1CCC(/C=C/c2ccccc2)N1.O=C(c1ccc(OC(F)(F)F)cc1)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
• InChI: InChI=1S/3C17H11F3N2O3.C17H11N3O2.C16H12N2O2.C16H20N2O.C15H18N2O/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)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;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(14-7-4-8-14)18-12-11-15(17-18)10-9-13-5-2-1-3-6-13;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12/h3*1-11H;1-11H;1-12H;1-3,5-6,9-10,14-15,17H,4,7-8,11-12H2;1-6,9,13-14,16H,7-8,10-11H2/b7-6+;8-5+;8-7+;7-6+;9-8+;10-9+;9-6+
• InChIKey: YXHJQLAWXMNGJR-KQUGLBNMSA-N
• XLogP: 24.06
• TPSA: 356.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2097.09
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The IUPAC name of cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 162041168) is cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

What is the SMILES notation for cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The canonical SMILES for cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is N#Cc1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.O=C(C1CC1)N1CCC(/C=C/c2ccccc2)N1.O=C(C1CCC1)N1CCC(/C=C/c2ccccc2)N1.O=C(c1ccc(OC(F)(F)F)cc1)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.

What is the InChIKey of cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

The InChIKey is YXHJQLAWXMNGJR-KQUGLBNMSA-N. The full InChI is InChI=1S/3C17H11F3N2O3.C17H11N3O2.C16H12N2O2.C16H20N2O.C15H18N2O/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)25-15-6-3-12(4-7-15)16(23)22-10-9-13(21-22)5-8-14-2-1-11-24-14;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(14-7-4-8-14)18-12-11-15(17-18)10-9-13-5-2-1-3-6-13;18-15(13-7-8-13)17-11-10-14(16-17)9-6-12-4-2-1-3-5-12/h3*1-11H;1-11H;1-12H;1-3,5-6,9-10,14-15,17H,4,7-8,11-12H2;1-6,9,13-14,16H,7-8,10-11H2/b7-6+;8-5+;8-7+;7-6+;9-8+;10-9+;9-6+.

What are the key properties of cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?

cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 2097.09 g/mol, XLogP of 24.06, 24 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazolidin-1-yl]methanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazolidin-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-(furan-2-yl)ethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 162041168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).