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

C18H12F6N8Pt — CID 140795516

IUPACbis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)
SMILESCc1cnc(-c2cc(C(F)(F)F)n[n-]2)cn1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cn1.[Pt+2]
InChIInChI=1S/2C9H6F3N4.Pt/c2*1-5-3-14-7(4-13-5)6-2-8(16-15-6)9(10,11)12;/h2*2-4H,1H3;/q2*-1;+2
InChIKeyVTSZKOUUJDYQDT-UHFFFAOYSA-N
MW649.42 g/mol
LogP3.64
Rot. Bonds2

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

bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+) (PubChem CID 140795516) has the molecular formula C18H12F6N8Pt and a molecular weight of 649.42 g/mol. Its IUPAC name is bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+).

Molecular Properties

Compound Namebis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)
PubChem CID140795516
Molecular FormulaC18H12F6N8Pt
Molecular Weight649.42 g/mol
Exact Mass649.07
IUPAC Namebis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)
SMILESCc1cnc(-c2cc(C(F)(F)F)n[n-]2)cn1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cn1.[Pt+2]
InChIInChI=1S/2C9H6F3N4.Pt/c2*1-5-3-14-7(4-13-5)6-2-8(16-15-6)9(10,11)12;/h2*2-4H,1H3;/q2*-1;+2
InChIKeyVTSZKOUUJDYQDT-UHFFFAOYSA-N
XLogP3.64
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-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(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
CID 139141458
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
2-(3-Tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
CID 139138251
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium
CID 20807176
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807191

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)?
The IUPAC name of bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+) (CID 140795516) is bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+).
What is the SMILES notation for bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)?
The canonical SMILES for bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+) is Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cn1.Cc1cnc(-c2cc(C(F)(F)F)n[n-]2)cn1.[Pt+2].
What is the InChIKey of bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)?
The InChIKey is VTSZKOUUJDYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H6F3N4.Pt/c2*1-5-3-14-7(4-13-5)6-2-8(16-15-6)9(10,11)12;/h2*2-4H,1H3;/q2*-1;+2.
What are the key properties of bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+)?
bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+) has a molecular weight of 649.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine);platinum(2+) is sourced from PubChem (CID 140795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).