[3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

C100H85N15O9S7 — CID 159355129

IUPAC[3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.CN(C)c1cccc(C(=O)n2ccc(/C=C/c3cccs3)n2)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3cccs3)n2)cc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/2C18H17N3OS.C18H16N2O2S.C17H12N2O3S.C15H13N3OS.C14H10N2OS2/c1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-20(2)16-8-5-14(6-9-16)18(22)21-12-11-15(19-21)7-10-17-4-3-13-23-17;1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;20-16(12-3-5-13(6-4-12)17(21)22)19-10-9-14(18-19)7-8-15-2-1-11-23-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h2*3-13H,1-2H3;2-12H,13H2,1H3;1-11H,(H,21,22);2-11H,1H3;1-10H/b9-8+;10-7+;9-6+;8-7+;7-6+;6-5+
InChIKeyLHVCXVKZMKVBBX-BBAFEWGBSA-N
MW1865.34 g/mol
LogP22.25
Rot. Bonds23

About [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

[3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 159355129) has the molecular formula C100H85N15O9S7 and a molecular weight of 1865.34 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
PubChem CID159355129
Molecular FormulaC100H85N15O9S7
Molecular Weight1865.34 g/mol
Exact Mass1863.47
IUPAC Name[3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.CN(C)c1cccc(C(=O)n2ccc(/C=C/c3cccs3)n2)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3cccs3)n2)cc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/2C18H17N3OS.C18H16N2O2S.C17H12N2O3S.C15H13N3OS.C14H10N2OS2/c1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-20(2)16-8-5-14(6-9-16)18(22)21-12-11-15(19-21)7-10-17-4-3-13-23-17;1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;20-16(12-3-5-13(6-4-12)17(21)22)19-10-9-14(18-19)7-8-15-2-1-11-23-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h2*3-13H,1-2H3;2-12H,13H2,1H3;1-11H,(H,21,22);2-11H,1H3;1-10H/b9-8+;10-7+;9-6+;8-7+;7-6+;6-5+
InChIKeyLHVCXVKZMKVBBX-BBAFEWGBSA-N
XLogP22.25
TPSA267.28 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001865.34
LogP ≤ 522.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 159355129) is [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is CN(C)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.CN(C)c1cccc(C(=O)n2ccc(/C=C/c3cccs3)n2)c1.COc1ccc(CC(=O)n2ccc(/C=C/c3cccs3)n2)cc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The InChIKey is LHVCXVKZMKVBBX-BBAFEWGBSA-N. The full InChI is InChI=1S/2C18H17N3OS.C18H16N2O2S.C17H12N2O3S.C15H13N3OS.C14H10N2OS2/c1-20(2)16-6-3-5-14(13-16)18(22)21-11-10-15(19-21)8-9-17-7-4-12-23-17;1-20(2)16-8-5-14(6-9-16)18(22)21-12-11-15(19-21)7-10-17-4-3-13-23-17;1-22-16-7-4-14(5-8-16)13-18(21)20-11-10-15(19-20)6-9-17-3-2-12-23-17;20-16(12-3-5-13(6-4-12)17(21)22)19-10-9-14(18-19)7-8-15-2-1-11-23-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h2*3-13H,1-2H3;2-12H,13H2,1H3;1-11H,(H,21,22);2-11H,1H3;1-10H/b9-8+;10-7+;9-6+;8-7+;7-6+;6-5+.
What are the key properties of [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
[3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone has a molecular weight of 1865.34 g/mol, XLogP of 22.25, 23 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;[4-(dimethylamino)phenyl]-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]ethanone;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid;thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 159355129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).