[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

C131H114N18O15S — CID 159774701

About [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (PubChem CID 159774701) has the molecular formula C131H114N18O15S and a molecular weight of 2212.53 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

• Compound Name: [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
• PubChem CID: 159774701
• Molecular Formula: C131H114N18O15S
• Molecular Weight: 2212.53 g/mol
• Exact Mass: 2210.84
• IUPAC Name: [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
• SMILES: CN(C)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(c1ccc(N2CCOCC2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1
• InChI: InChI=1S/C22H21N3O2.C21H20N4O2.C20H18N2O2.C18H17N3O2.C18H14N2O4.C16H12N2O2.C16H12N2OS/c26-22(19-7-10-21(11-8-19)24-14-16-27-17-15-24)25-13-12-20(23-25)9-6-18-4-2-1-3-5-18;26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;1-24-19-11-8-17(9-12-19)15-20(23)22-14-13-18(21-22)10-7-16-5-3-2-4-6-16;1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-23-18(22)14-5-2-4-13(12-14)17(21)20-10-9-15(19-20)7-8-16-6-3-11-24-16;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13/h1-13H,14-17H2;1-11,16H,12-15H2;2-14H,15H2,1H3;3-13H,1-2H3;2-12H,1H3;2*1-12H/b9-6+;8-6+;10-7+;9-8+;8-7+;9-8+;7-6+
• InChIKey: NGOUZZKVAFVUCI-UCBDKKQRSA-N
• XLogP: 24.16
• TPSA: 360.25 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.53
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

The IUPAC name of [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (CID 159774701) is [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.

What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

The canonical SMILES for [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is CN(C)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COC(=O)c1cccc(C(=O)n2ccc(/C=C/c3ccco3)n2)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(c1ccc(N2CCOCC2)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccc(N2CCOCC2)nc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccsc1)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

The InChIKey is NGOUZZKVAFVUCI-UCBDKKQRSA-N. The full InChI is InChI=1S/C22H21N3O2.C21H20N4O2.C20H18N2O2.C18H17N3O2.C18H14N2O4.C16H12N2O2.C16H12N2OS/c26-22(19-7-10-21(11-8-19)24-14-16-27-17-15-24)25-13-12-20(23-25)9-6-18-4-2-1-3-5-18;26-21(18-7-9-20(22-16-18)24-12-14-27-15-13-24)25-11-10-19(23-25)8-6-17-4-2-1-3-5-17;1-24-19-11-8-17(9-12-19)15-20(23)22-14-13-18(21-22)10-7-16-5-3-2-4-6-16;1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-23-18(22)14-5-2-4-13(12-14)17(21)20-10-9-15(19-20)7-8-16-6-3-11-24-16;19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13;19-16(14-9-11-20-12-14)18-10-8-15(17-18)7-6-13-4-2-1-3-5-13/h1-13H,14-17H2;1-11,16H,12-15H2;2-14H,15H2,1H3;3-13H,1-2H3;2-12H,1H3;2*1-12H/b9-6+;8-6+;10-7+;9-8+;8-7+;9-8+;7-6+.

What are the key properties of [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?

[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone has a molecular weight of 2212.53 g/mol, XLogP of 24.16, 27 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(6-morpholin-4-yl-3-pyridinyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 159774701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).