2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone

C86H81ClN10O7 — CID 157264726

About 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone

2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 157264726) has the molecular formula C86H81ClN10O7 and a molecular weight of 1402.11 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone
• PubChem CID: 157264726
• Molecular Formula: C86H81ClN10O7
• Molecular Weight: 1402.11 g/mol
• Exact Mass: 1400.60
• IUPAC Name: 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone
• SMILES: COc1cccc(CC(=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(CC1CCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C19H15ClN2O.C18H16N2O3.C18H20N2O.C16H16N2O.C15H14N2O/c20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;1-22-17-5-2-4-14(12-17)13-18(21)20-10-9-15(19-20)7-8-16-6-3-11-23-16;21-18(14-16-8-4-5-9-16)20-13-12-17(19-20)11-10-15-6-2-1-3-7-15;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/h1-13H,14H2;2-12H,13H2,1H3;1-3,6-7,10-13,16H,4-5,8-9,14H2;1-3,5-6,9-12,14H,4,7-8H2;1-6,9-11,13H,7-8H2/b11-8+;8-7+;11-10+;10-9+;9-6+
• InChIKey: AXWDQNNNAZFXGY-WKQCHLGZSA-N
• XLogP: 19.00
• TPSA: 196.82 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.11
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone?

The IUPAC name of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone (CID 157264726) is 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone.

What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone?

The canonical SMILES for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=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(CC1CCCC1)n1ccc(/C=C/c2ccccc2)n1.O=C(Cc1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone?

The InChIKey is AXWDQNNNAZFXGY-WKQCHLGZSA-N. The full InChI is InChI=1S/C19H15ClN2O.C18H16N2O3.C18H20N2O.C16H16N2O.C15H14N2O/c20-17-9-6-16(7-10-17)14-19(23)22-13-12-18(21-22)11-8-15-4-2-1-3-5-15;1-22-17-5-2-4-14(12-17)13-18(21)20-10-9-15(19-20)7-8-16-6-3-11-23-16;21-18(14-16-8-4-5-9-16)20-13-12-17(19-20)11-10-15-6-2-1-3-7-15;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/h1-13H,14H2;2-12H,13H2,1H3;1-3,6-7,10-13,16H,4-5,8-9,14H2;1-3,5-6,9-12,14H,4,7-8H2;1-6,9-11,13H,7-8H2/b11-8+;8-7+;11-10+;10-9+;9-6+.

What are the key properties of 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone?

2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 1402.11 g/mol, XLogP of 19.00, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclobutyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-cyclopentyl-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;cyclopropyl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;1-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 157264726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).