3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide

C18H15F3N6Pt — CID 58711210

IUPAC3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide
SMILESCc1cc[n-]n1.FC(F)(F)c1cc[n-]n1.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C4H2F3N2.C4H5N2.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;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
InChIKeyNPFNCZQRSJXPPQ-UHFFFAOYSA-N
MW567.43 g/mol
LogP3.55
Rot. Bonds1

About 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide

3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide (PubChem CID 58711210) has the molecular formula C18H15F3N6Pt and a molecular weight of 567.43 g/mol. Its IUPAC name is 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide.

Molecular Properties

Compound Name3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide
PubChem CID58711210
Molecular FormulaC18H15F3N6Pt
Molecular Weight567.43 g/mol
Exact Mass567.10
IUPAC Name3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide
SMILESCc1cc[n-]n1.FC(F)(F)c1cc[n-]n1.[Pt+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C4H2F3N2.C4H5N2.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;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
InChIKeyNPFNCZQRSJXPPQ-UHFFFAOYSA-N
XLogP3.55
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
6-(3,5-Dimethyltriazol-4-yl)-1-[(1,4,4-trifluorocyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 90426828
1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118059767
US11530210, Example 39
CID 155388658
US11530210, Example 184
CID 155388721
US11530210, Example 190
CID 155388780
US11530210, Example 168
CID 155388785
US11530210, Example 167
CID 155388978
US11530210, Example 189
CID 155399930
US11530210, Example 166
CID 155399947
US11530210, Example 257
CID 155399952
US20230339900, Example 2
CID 162760946

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide?
The IUPAC name of 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide (CID 58711210) is 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide.
What is the SMILES notation for 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide?
The canonical SMILES for 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide is Cc1cc[n-]n1.FC(F)(F)c1cc[n-]n1.[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide?
The InChIKey is NPFNCZQRSJXPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C4H2F3N2.C4H5N2.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;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;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide?
3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide has a molecular weight of 567.43 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide is sourced from PubChem (CID 58711210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).