bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C52H43F3N20Pt3 — CID 161312453

IUPACbis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C9H5F3N3.3C9H8N3.2C8H7N4.3Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;/h1-5H;3*2-6H,1H3;2*2-5H,1H3;;;/q6*-1;3*+2
InChIKeyVJBLHXLZIKTQCC-UHFFFAOYSA-N
MW1590.28 g/mol
LogP7.95
Rot. Bonds6

About bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 161312453) has the molecular formula C52H43F3N20Pt3 and a molecular weight of 1590.28 g/mol. Its IUPAC name is bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namebis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID161312453
Molecular FormulaC52H43F3N20Pt3
Molecular Weight1590.28 g/mol
Exact Mass1589.29
IUPAC Namebis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C9H5F3N3.3C9H8N3.2C8H7N4.3Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;/h1-5H;3*2-6H,1H3;2*2-5H,1H3;;;/q6*-1;3*+2
InChIKeyVJBLHXLZIKTQCC-UHFFFAOYSA-N
XLogP7.95
TPSA265.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.28
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
CID 139131684
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168354058
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
2-(3-Tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
CID 139138251
Methyl(diphenyl)phosphanium;methylphosphane;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57604186
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371

Frequently Asked Questions

What is the IUPAC name of bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 161312453) is bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is VJBLHXLZIKTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N3.3C9H8N3.2C8H7N4.3Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;/h1-5H;3*2-6H,1H3;2*2-5H,1H3;;;/q6*-1;3*+2.
What are the key properties of bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 1590.28 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tris(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 161312453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).