3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)

C26H19F3N8Pt2-6 — CID 159983991

IUPAC3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)
SMILESCc1cc(-c2[c-]cccc2)[n-]n1.FC(F)(F)c1cc(-c2[c-]cccc2)[n-]n1.[Pt].[Pt].c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/C10H5F3N2.C10H8N2.2C3H3N2.2Pt/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2-4-5-3-1;;/h1-4,6H;2-5,7H,1H3;2*1-3H;;/q2*-2;2*-1;;
InChIKeyYFVSAJRDHCNPEX-UHFFFAOYSA-N
MW890.64 g/mol
LogP4.41
Rot. Bonds2

About 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)

3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide) (PubChem CID 159983991) has the molecular formula C26H19F3N8Pt2-6 and a molecular weight of 890.64 g/mol. Its IUPAC name is 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide).

Molecular Properties

Compound Name3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)
PubChem CID159983991
Molecular FormulaC26H19F3N8Pt2-6
Molecular Weight890.64 g/mol
Exact Mass890.10
IUPAC Name3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)
SMILESCc1cc(-c2[c-]cccc2)[n-]n1.FC(F)(F)c1cc(-c2[c-]cccc2)[n-]n1.[Pt].[Pt].c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/C10H5F3N2.C10H8N2.2C3H3N2.2Pt/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2-4-5-3-1;;/h1-4,6H;2-5,7H,1H3;2*1-3H;;/q2*-2;2*-1;;
InChIKeyYFVSAJRDHCNPEX-UHFFFAOYSA-N
XLogP4.41
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500890.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-phenylpyrazol-1-ide;2-(4-methylpyrrol-1-id-2-yl)pyridine;platinum
CID 171055621
diphenyl(phenylmethyl)phosphanium;iridium(3+);2-(5-methylpyrazol-2-id-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567852
4-tert-butyl-6-(5-methylpyrazol-2-id-3-yl)-2-phenylpyrimidine;4-tert-butyl-6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-phenylpyrimidine;iridium(3+)
CID 158484644
CID 164745615
CID 164745615
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
CID 158549694
(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide
CID 158158878
bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158317289
3-(4-fluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793708
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158959964
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;(2-methanidylphenyl)-diphenylphosphanium;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide
CID 159063855
dichloroplatinum;5-isoquinolin-1-yl-1,10,10-trimethyl-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;methanone;tris(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(methyl(diphenyl)phosphanium);3-methyl-5-phenylpyrazol-1-ide;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);osmium(5+);platinum;platinum(2+);pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158980344

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)?
The IUPAC name of 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide) (CID 159983991) is 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide).
What is the SMILES notation for 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)?
The canonical SMILES for 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide) is Cc1cc(-c2[c-]cccc2)[n-]n1.FC(F)(F)c1cc(-c2[c-]cccc2)[n-]n1.[Pt].[Pt].c1cn[n-]c1.c1cn[n-]c1.
What is the InChIKey of 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)?
The InChIKey is YFVSAJRDHCNPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2.C10H8N2.2C3H3N2.2Pt/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2-4-5-3-1;;/h1-4,6H;2-5,7H,1H3;2*1-3H;;/q2*-2;2*-1;;.
What are the key properties of 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)?
3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide) has a molecular weight of 890.64 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide) is sourced from PubChem (CID 159983991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).