2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)

C23H27N7Pt — CID 140723069

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
SMILESCC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.[Pt+2]
InChIInChI=1S/C12H14N3.C11H13N4.Pt/c1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;1-11(2,3)10-6-9(14-15-10)8-4-5-12-7-13-8;/h4-8H,1-3H3;4-7H,1-3H3;/q2*-1;+2
InChIKeyNVNQNVAAGAXGPU-UHFFFAOYSA-N
MW596.60 g/mol
LogP4.19
Rot. Bonds2

About 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)

2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+) (PubChem CID 140723069) has the molecular formula C23H27N7Pt and a molecular weight of 596.60 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+).

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
PubChem CID140723069
Molecular FormulaC23H27N7Pt
Molecular Weight596.60 g/mol
Exact Mass596.20
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
SMILESCC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.[Pt+2]
InChIInChI=1S/C12H14N3.C11H13N4.Pt/c1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;1-11(2,3)10-6-9(14-15-10)8-4-5-12-7-13-8;/h4-8H,1-3H3;4-7H,1-3H3;/q2*-1;+2
InChIKeyNVNQNVAAGAXGPU-UHFFFAOYSA-N
XLogP4.19
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.60
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;iridium
CID 58814056
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;iridium;2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 58814008
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
4-(3-tert-butylpyrazol-1-id-5-yl)-N-[4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenylpyrimidin-2-amine;platinum(2+)
CID 140723049
2-(3-tert-butylpyrazol-1-id-5-yl)-6-[tris[6-(3-tert-butylpyrazol-1-id-5-yl)-2-pyridinyl]methyl]pyridine;bis(platinum(2+))
CID 58756122
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
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
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)?
The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+) (CID 140723069) is 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+).
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+) is CC(C)(C)c1cc(-c2ccccn2)[n-]n1.CC(C)(C)c1cc(-c2ccncn2)[n-]n1.[Pt+2].
What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)?
The InChIKey is NVNQNVAAGAXGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3.C11H13N4.Pt/c1-12(2,3)11-8-10(14-15-11)9-6-4-5-7-13-9;1-11(2,3)10-6-9(14-15-10)8-4-5-12-7-13-8;/h4-8H,1-3H3;4-7H,1-3H3;/q2*-1;+2.
What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)?
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+) has a molecular weight of 596.60 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+) is sourced from PubChem (CID 140723069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).