2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)

C24H30N8Pt — CID 139138251

IUPAC2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
SMILESCc1cnc(-c2cc(C(C)(C)C)[n-]n2)cn1.Cc1cnc(-c2cc(C(C)(C)C)n[n-]2)cn1.[Pt+2]
InChIInChI=1S/2C12H15N4.Pt/c2*1-8-6-14-10(7-13-8)9-5-11(16-15-9)12(2,3)4;/h2*5-7H,1-4H3;/q2*-1;+2
InChIKeyZWAZSLZMRLBIEU-UHFFFAOYSA-N
MW625.64 g/mol
LogP4.20
Rot. Bonds2

About 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)

2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+) (PubChem CID 139138251) has the molecular formula C24H30N8Pt and a molecular weight of 625.64 g/mol. Its IUPAC name is 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+).

Molecular Properties

Compound Name2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
PubChem CID139138251
Molecular FormulaC24H30N8Pt
Molecular Weight625.64 g/mol
Exact Mass625.22
IUPAC Name2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)
SMILESCc1cnc(-c2cc(C(C)(C)C)[n-]n2)cn1.Cc1cnc(-c2cc(C(C)(C)C)n[n-]2)cn1.[Pt+2]
InChIInChI=1S/2C12H15N4.Pt/c2*1-8-6-14-10(7-13-8)9-5-11(16-15-9)12(2,3)4;/h2*5-7H,1-4H3;/q2*-1;+2
InChIKeyZWAZSLZMRLBIEU-UHFFFAOYSA-N
XLogP4.20
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.64
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10189845, Example 135
CID 121390915
US10189845, Example 10
CID 121391095
US10189845, Example 12
CID 121391107
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium;4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525991
Iridium;1-phenylpyrazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525998
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)?
The IUPAC name of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+) (CID 139138251) is 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+).
What is the SMILES notation for 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)?
The canonical SMILES for 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+) is Cc1cnc(-c2cc(C(C)(C)C)[n-]n2)cn1.Cc1cnc(-c2cc(C(C)(C)C)n[n-]2)cn1.[Pt+2].
What is the InChIKey of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)?
The InChIKey is ZWAZSLZMRLBIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N4.Pt/c2*1-8-6-14-10(7-13-8)9-5-11(16-15-9)12(2,3)4;/h2*5-7H,1-4H3;/q2*-1;+2.
What are the key properties of 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+)?
2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+) has a molecular weight of 625.64 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrazol-1-id-5-yl)-5-methylpyrazine;2-(5-tert-butylpyrazol-1-id-3-yl)-5-methylpyrazine;platinum(2+) is sourced from PubChem (CID 139138251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).