5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole

C40H34N10O4S — CID 159001324

About 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole

5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole (PubChem CID 159001324) has the molecular formula C40H34N10O4S and a molecular weight of 750.85 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole.

Molecular Properties

• Compound Name: 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
• PubChem CID: 159001324
• Molecular Formula: C40H34N10O4S
• Molecular Weight: 750.85 g/mol
• Exact Mass: 750.25
• IUPAC Name: 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
• SMILES: C(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1
• InChI: InChI=1S/C13H11N3.C9H7N3O3.C9H8N2O.C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9,15H,(H,14,16);1-6H,(H,10,11);2*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+
• InChIKey: JRJDPMYKJNJVIU-IWIWGREVSA-N
• XLogP: 9.96
• TPSA: 199.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.85
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?

The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole (CID 159001324) is 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole.

What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?

The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole is C(=C/c1cc2ccccc2[nH]1)\c1ccn[nH]1.C(=C/c1ccco1)\c1ccn[nH]1.C(=C/c1cccs1)\c1ccn[nH]1.O=[N+]([O-])c1ccc(/C=C/c2ccn[nH]2)o1.

What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?

The InChIKey is JRJDPMYKJNJVIU-IWIWGREVSA-N. The full InChI is InChI=1S/C13H11N3.C9H7N3O3.C9H8N2O.C9H8N2S/c1-2-4-13-10(3-1)9-12(15-13)6-5-11-7-8-14-16-11;13-12(14)9-4-3-8(15-9)2-1-7-5-6-10-11-7;2*1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-9,15H,(H,14,16);1-6H,(H,10,11);2*1-7H,(H,10,11)/b6-5+;2-1+;2*4-3+.

What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole?

5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole has a molecular weight of 750.85 g/mol, XLogP of 9.96, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole is sourced from PubChem (CID 159001324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).