dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate

C62H60N8O8Zn2 — CID 139175504

About dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate

dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate (PubChem CID 139175504) has the molecular formula C62H60N8O8Zn2 and a molecular weight of 1175.99 g/mol. Its IUPAC name is dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate.

Molecular Properties

• Compound Name: dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate
• PubChem CID: 139175504
• Molecular Formula: C62H60N8O8Zn2
• Molecular Weight: 1175.99 g/mol
• Exact Mass: 1172.31
• IUPAC Name: dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate
• SMILES: CO.CO.CO.CO.[O-]c1ccccc1-c1ccn(Cc2ccc(Cn3ccc(-c4ccccc4[O-])n3)cc2)n1.[O-]c1ccccc1-c1ccn(Cc2cccc(-c3cccc(Cn4ccc(-c5ccccc5[O-])n4)c3)c2)n1.[Zn+2].[Zn+2]
• InChI: InChI=1S/C32H26N4O2.C26H22N4O2.4CH4O.2Zn/c37-31-13-3-1-11-27(31)29-15-17-35(33-29)21-23-7-5-9-25(19-23)26-10-6-8-24(20-26)22-36-18-16-30(34-36)28-12-2-4-14-32(28)38;31-25-7-3-1-5-21(25)23-13-15-29(27-23)17-19-9-11-20(12-10-19)18-30-16-14-24(28-30)22-6-2-4-8-26(22)32;4*1-2;;/h1-20,37-38H,21-22H2;1-16,31-32H,17-18H2;4*2H,1H3;;/q;;;;;;2*+2/p-4
• InChIKey: GKEHPWVELSPKSM-UHFFFAOYSA-J
• XLogP: 7.41
• TPSA: 244.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.99
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate?

The IUPAC name of dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate (CID 139175504) is dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate.

What is the SMILES notation for dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate?

The canonical SMILES for dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate is CO.CO.CO.CO.[O-]c1ccccc1-c1ccn(Cc2ccc(Cn3ccc(-c4ccccc4[O-])n3)cc2)n1.[O-]c1ccccc1-c1ccn(Cc2cccc(-c3cccc(Cn4ccc(-c5ccccc5[O-])n4)c3)c2)n1.[Zn+2].[Zn+2].

What is the InChIKey of dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate?

The InChIKey is GKEHPWVELSPKSM-UHFFFAOYSA-J. The full InChI is InChI=1S/C32H26N4O2.C26H22N4O2.4CH4O.2Zn/c37-31-13-3-1-11-27(31)29-15-17-35(33-29)21-23-7-5-9-25(19-23)26-10-6-8-24(20-26)22-36-18-16-30(34-36)28-12-2-4-14-32(28)38;31-25-7-3-1-5-21(25)23-13-15-29(27-23)17-19-9-11-20(12-10-19)18-30-16-14-24(28-30)22-6-2-4-8-26(22)32;4*1-2;;/h1-20,37-38H,21-22H2;1-16,31-32H,17-18H2;4*2H,1H3;;/q;;;;;;2*+2/p-4.

What are the key properties of dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate?

dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate has a molecular weight of 1175.99 g/mol, XLogP of 7.41, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;methanol;2-[1-[[4-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]methyl]pyrazol-3-yl]phenolate;2-[1-[[3-[3-[[3-(2-oxidophenyl)pyrazol-1-yl]methyl]phenyl]phenyl]methyl]pyrazol-3-yl]phenolate is sourced from PubChem (CID 139175504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).