(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide

C17H14F3N7Pt-2 — CID 158158878

IUPAC(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cn1ccn(-c2ccccn2)c1=[Pt]
InChIInChI=1S/C9H9N3.C8H5F3N4.Pt/c1-11-6-7-12(8-11)9-4-2-3-5-10-9;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h2-7H,1H3;2-3H,1H3;/q;-2;
InChIKeyBMFOXILEFBFIGU-UHFFFAOYSA-N
MW568.42 g/mol
LogP2.67
Rot. Bonds2

About (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide

(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide (PubChem CID 158158878) has the molecular formula C17H14F3N7Pt-2 and a molecular weight of 568.42 g/mol. Its IUPAC name is (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide.

Molecular Properties

Compound Name(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide
PubChem CID158158878
Molecular FormulaC17H14F3N7Pt-2
Molecular Weight568.42 g/mol
Exact Mass568.09
IUPAC Name(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide
SMILESCc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cn1ccn(-c2ccccn2)c1=[Pt]
InChIInChI=1S/C9H9N3.C8H5F3N4.Pt/c1-11-6-7-12(8-11)9-4-2-3-5-10-9;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h2-7H,1H3;2-3H,1H3;/q;-2;
InChIKeyBMFOXILEFBFIGU-UHFFFAOYSA-N
XLogP2.67
TPSA76.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
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CID 58567852
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
2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;iridium;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 58814008
bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);phosphane
CID 58788802
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
3-methyl-5-phenylpyrazol-1-ide;5-phenyl-3-(trifluoromethyl)pyrazol-1-ide;platinum;bis(pyrazol-1-ide)
CID 159983991
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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide?
The IUPAC name of (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide (CID 158158878) is (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide.
What is the SMILES notation for (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide?
The canonical SMILES for (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide is Cc1cc(-c2cc(C(F)(F)F)n[n-]2)[n-]n1.Cn1ccn(-c2ccccn2)c1=[Pt].
What is the InChIKey of (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide?
The InChIKey is BMFOXILEFBFIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C8H5F3N4.Pt/c1-11-6-7-12(8-11)9-4-2-3-5-10-9;1-4-2-5(13-12-4)6-3-7(15-14-6)8(9,10)11;/h2-7H,1H3;2-3H,1H3;/q;-2;.
What are the key properties of (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide?
(1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide has a molecular weight of 568.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-pyridin-2-ylimidazol-2-ylidene)platinum;3-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide is sourced from PubChem (CID 158158878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).