5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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

C74H62Cl2N14O6S3 — CID 158914432

About 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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]-N-methylpyrazole-1-carboxamide;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 158914432) has the molecular formula C74H62Cl2N14O6S3 and a molecular weight of 1410.51 g/mol. Its IUPAC name is 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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]-N-methylpyrazole-1-carboxamide;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: 158914432
• Molecular Formula: C74H62Cl2N14O6S3
• Molecular Weight: 1410.51 g/mol
• Exact Mass: 1408.35
• IUPAC Name: 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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.CNC(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1
• InChI: InChI=1S/C17H12N2O3S.C15H13N3OS.C13H11Cl2N3O.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;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-16-13(19)18-9(7-8-17-18)5-6-10-11(14)3-2-4-12(10)15;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);2-11H,1H3;2-8H,1H3,(H,16,19);1-9H,(H,12,13);2*1-7H,(H,10,11)/b8-7+;7-6+;6-5+;7-6+;2*4-3+
• InChIKey: JHBBKOQVADBCFD-RQILHSQESA-N
• XLogP: 17.59
• TPSA: 258.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.51
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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]-N-methylpyrazole-1-carboxamide;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 158914432) is 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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]-N-methylpyrazole-1-carboxamide;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]-N-methylpyrazole-1-carboxamide;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.CNC(=O)n1nccc1/C=C/c1c(Cl)cccc1Cl.Cn1cccc1C(=O)n1ccc(/C=C/c2cccs2)n1.O=C(O)c1ccc(C(=O)n2ccc(/C=C/c3cccs3)n2)cc1.

What is the InChIKey of 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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 JHBBKOQVADBCFD-RQILHSQESA-N. The full InChI is InChI=1S/C17H12N2O3S.C15H13N3OS.C13H11Cl2N3O.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;1-17-9-2-5-14(17)15(19)18-10-8-12(16-18)6-7-13-4-3-11-20-13;1-16-13(19)18-9(7-8-17-18)5-6-10-11(14)3-2-4-12(10)15;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);2-11H,1H3;2-8H,1H3,(H,16,19);1-9H,(H,12,13);2*1-7H,(H,10,11)/b8-7+;7-6+;6-5+;7-6+;2*4-3+.

What are the key properties of 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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]-N-methylpyrazole-1-carboxamide;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 1410.51 g/mol, XLogP of 17.59, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylpyrazole-1-carboxamide;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 158914432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).