silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate

C26H29AgF6N9O2P — CID 139126380

About silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate

silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate (PubChem CID 139126380) has the molecular formula C26H29AgF6N9O2P and a molecular weight of 752.41 g/mol. Its IUPAC name is silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate.

Molecular Properties

• Compound Name: silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate
• PubChem CID: 139126380
• Molecular Formula: C26H29AgF6N9O2P
• Molecular Weight: 752.41 g/mol
• Exact Mass: 751.11
• IUPAC Name: silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate
• SMILES: CC#N.F[P-](F)(F)(F)(F)F.[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1
• InChI: InChI=1S/C24H26N8O2.C2H3N.Ag.F6P/c1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-2-3;;1-7(2,3,4,5)6/h1-16,23-24H,17-20H2;1H3;;/q;;+1;-1
• InChIKey: RMSZQDZKNHEXBI-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 113.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	752.41
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate?

The IUPAC name of silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate (CID 139126380) is silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate.

What is the SMILES notation for silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate?

The canonical SMILES for silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate is CC#N.F[P-](F)(F)(F)(F)F.[Ag+].c1cnn(C(COCc2ccc(COCC(n3cccn3)n3cccn3)cc2)n2cccn2)c1.

What is the InChIKey of silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate?

The InChIKey is RMSZQDZKNHEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C2H3N.Ag.F6P/c1-9-25-29(13-1)23(30-14-2-10-26-30)19-33-17-21-5-7-22(8-6-21)18-34-20-24(31-15-3-11-27-31)32-16-4-12-28-32;1-2-3;;1-7(2,3,4,5)6/h1-16,23-24H,17-20H2;1H3;;/q;;+1;-1.

What are the key properties of silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate?

silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate has a molecular weight of 752.41 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for silver;acetonitrile;1-[2-[[4-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole;hexafluorophosphate is sourced from PubChem (CID 139126380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).