2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc

C52H37F3N12Zn4-4 — CID 160663670

IUPAC2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc
SMILESCc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Zn].[Zn].[Zn].[Zn].c1ccc(-c2cc(-c3ccccn3)[n-]n2)cc1.c1ccc(-c2n[n-]c(-c3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C20H14N3.C14H10N3.C9H5F3N3.C9H8N3.4Zn/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)22-23-20(18)17-13-7-8-14-21-17;1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;/h1-14H;1-10H;1-5H;2-6H,1H3;;;;/q4*-1;;;;
InChIKeyVQPUFVQKWQMAMW-UHFFFAOYSA-N
MW1148.51 g/mol
LogP10.72
Rot. Bonds7

About 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc

2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc (PubChem CID 160663670) has the molecular formula C52H37F3N12Zn4-4 and a molecular weight of 1148.51 g/mol. Its IUPAC name is 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc.

Molecular Properties

Compound Name2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc
PubChem CID160663670
Molecular FormulaC52H37F3N12Zn4-4
Molecular Weight1148.51 g/mol
Exact Mass1142.04
IUPAC Name2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc
SMILESCc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Zn].[Zn].[Zn].[Zn].c1ccc(-c2cc(-c3ccccn3)[n-]n2)cc1.c1ccc(-c2n[n-]c(-c3ccccn3)c2-c2ccccc2)cc1
InChIInChI=1S/C20H14N3.C14H10N3.C9H5F3N3.C9H8N3.4Zn/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)22-23-20(18)17-13-7-8-14-21-17;1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;/h1-14H;1-10H;1-5H;2-6H,1H3;;;;/q4*-1;;;;
InChIKeyVQPUFVQKWQMAMW-UHFFFAOYSA-N
XLogP10.72
TPSA159.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.51
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc?
The IUPAC name of 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc (CID 160663670) is 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc.
What is the SMILES notation for 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc?
The canonical SMILES for 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc is Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Zn].[Zn].[Zn].[Zn].c1ccc(-c2cc(-c3ccccn3)[n-]n2)cc1.c1ccc(-c2n[n-]c(-c3ccccn3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc?
The InChIKey is VQPUFVQKWQMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N3.C14H10N3.C9H5F3N3.C9H8N3.4Zn/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)22-23-20(18)17-13-7-8-14-21-17;1-2-6-11(7-3-1)13-10-14(17-16-13)12-8-4-5-9-15-12;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;/h1-14H;1-10H;1-5H;2-6H,1H3;;;;/q4*-1;;;;.
What are the key properties of 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc?
2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc has a molecular weight of 1148.51 g/mol, XLogP of 10.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylpyrazol-1-id-5-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;zinc is sourced from PubChem (CID 160663670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).