[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid

C77H61Cl2N13O6S4 — CID 162189833

About [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid

[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid (PubChem CID 162189833) has the molecular formula C77H61Cl2N13O6S4 and a molecular weight of 1463.59 g/mol. Its IUPAC name is [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid.

Molecular Properties

• Compound Name: [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid
• PubChem CID: 162189833
• Molecular Formula: C77H61Cl2N13O6S4
• Molecular Weight: 1463.59 g/mol
• Exact Mass: 1461.31
• IUPAC Name: [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid
• SMILES: C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccccc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1cccs1)n1nccc1/C=C/c1c(Cl)cccc1Cl
• InChI: InChI=1S/C17H12N2O3S.C16H10Cl2N2OS.C15H13N3OS.C11H10N2.C9H8N2O.C9H8N2S/c20-16(12-3-5-13(6-4-12)17(21)22)19-10-9-14(18-19)7-8-15-2-1-11-23-15;17-13-3-1-4-14(18)12(13)7-6-11-8-9-19-20(11)16(21)15-5-2-10-22-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-11H,(H,21,22);1-10H;2-11H,1H3;1-9H,(H,12,13);2*1-7H,(H,10,11)/b8-7+;3*7-6+;2*4-3+
• InChIKey: ZQDNYTKKLQBEBU-OLMUSMCOSA-N
• XLogP: 19.15
• TPSA: 246.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.59
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid?

The IUPAC name of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid (CID 162189833) is [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid.

What is the SMILES notation for [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid?

The canonical SMILES for [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid is C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.C(=C/c1ccn[nH]1)\c1ccccc1.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.O=C(c1cccs1)n1nccc1/C=C/c1c(Cl)cccc1Cl.

What is the InChIKey of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid?

The InChIKey is ZQDNYTKKLQBEBU-OLMUSMCOSA-N. The full InChI is InChI=1S/C17H12N2O3S.C16H10Cl2N2OS.C15H13N3OS.C11H10N2.C9H8N2O.C9H8N2S/c20-16(12-3-5-13(6-4-12)17(21)22)19-10-9-14(18-19)7-8-15-2-1-11-23-15;17-13-3-1-4-14(18)12(13)7-6-11-8-9-19-20(11)16(21)15-5-2-10-22-15;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-2-4-10(5-3-1)6-7-11-8-9-12-13-11;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-11H,(H,21,22);1-10H;2-11H,1H3;1-9H,(H,12,13);2*1-7H,(H,10,11)/b8-7+;3*7-6+;2*4-3+.

What are the key properties of [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid?

[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid has a molecular weight of 1463.59 g/mol, XLogP of 19.15, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;(1-methylpyrrol-2-yl)-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone;5-[(E)-2-phenylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoic acid is sourced from PubChem (CID 162189833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).