3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide

C20H15F3N6Pt — CID 58711213

IUPAC3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide
SMILESCc1cc[n-]n1.FC(F)(F)c1cc[n-]n1.[Pt+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C4H2F3N2.C4H5N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-4(6,7)3-1-2-8-9-3;1-4-2-3-5-6-4;/h1-8H;1-2H;2-3H,1H3;/q;2*-1;+2
InChIKeySEOWPPOUBZVBSZ-UHFFFAOYSA-N
MW591.45 g/mol
LogP4.19
Rot. Bonds

About 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide

3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide (PubChem CID 58711213) has the molecular formula C20H15F3N6Pt and a molecular weight of 591.45 g/mol. Its IUPAC name is 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide.

Molecular Properties

Compound Name3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide
PubChem CID58711213
Molecular FormulaC20H15F3N6Pt
Molecular Weight591.45 g/mol
Exact Mass591.10
IUPAC Name3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide
SMILESCc1cc[n-]n1.FC(F)(F)c1cc[n-]n1.[Pt+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C4H2F3N2.C4H5N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-4(6,7)3-1-2-8-9-3;1-4-2-3-5-6-4;/h1-8H;1-2H;2-3H,1H3;/q;2*-1;+2
InChIKeySEOWPPOUBZVBSZ-UHFFFAOYSA-N
XLogP4.19
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

nickel;3-(trifluoromethyl)pyrazol-1-ide
CID 178089313
copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875
europium;1,10-phenanthroline
CID 20606755
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085
4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
CID 83399919
copper(1+);1,1,1,2,2-pentafluoroethane;1,10-phenanthroline
CID 118415323
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide?
The IUPAC name of 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide (CID 58711213) is 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide.
What is the SMILES notation for 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide?
The canonical SMILES for 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide is Cc1cc[n-]n1.FC(F)(F)c1cc[n-]n1.[Pt+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide?
The InChIKey is SEOWPPOUBZVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C4H2F3N2.C4H5N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-4(6,7)3-1-2-8-9-3;1-4-2-3-5-6-4;/h1-8H;1-2H;2-3H,1H3;/q;2*-1;+2.
What are the key properties of 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide?
3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide has a molecular weight of 591.45 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazol-1-ide;1,10-phenanthroline;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide is sourced from PubChem (CID 58711213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).