2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))

C54H41F10N21Pt3 — CID 161352020

IUPAC2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))
SMILESCc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1n[n-]c(-c2cnccn2)c1C.Fc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C10H7F3N3.C9H4F4N3.C9H9N4.2C8H7N4.3Pt/c2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;10-5-1-2-14-6(3-5)7-4-8(16-15-7)9(11,12)13;1-6-7(2)12-13-9(6)8-5-10-3-4-11-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;/h2*2-5H,1H3;1-4H;3-5H,1-2H3;2*2-5H,1H3;;;/q6*-1;3*+2
InChIKeyVOAWNCYSBATJCW-UHFFFAOYSA-N
MW1759.28 g/mol
LogP9.83
Rot. Bonds6

About 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))

2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)) (PubChem CID 161352020) has the molecular formula C54H41F10N21Pt3 and a molecular weight of 1759.28 g/mol. Its IUPAC name is 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)).

Molecular Properties

Compound Name2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))
PubChem CID161352020
Molecular FormulaC54H41F10N21Pt3
Molecular Weight1759.28 g/mol
Exact Mass1758.26
IUPAC Name2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))
SMILESCc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1n[n-]c(-c2cnccn2)c1C.Fc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C10H7F3N3.C9H4F4N3.C9H9N4.2C8H7N4.3Pt/c2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;10-5-1-2-14-6(3-5)7-4-8(16-15-7)9(11,12)13;1-6-7(2)12-13-9(6)8-5-10-3-4-11-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;/h2*2-5H,1H3;1-4H;3-5H,1-2H3;2*2-5H,1H3;;;/q6*-1;3*+2
InChIKeyVOAWNCYSBATJCW-UHFFFAOYSA-N
XLogP9.83
TPSA277.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms88
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.28
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))?
The IUPAC name of 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)) (CID 161352020) is 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)).
What is the SMILES notation for 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))?
The canonical SMILES for 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)) is Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.Cc1n[n-]c(-c2cnccn2)c1C.Fc1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))?
The InChIKey is VOAWNCYSBATJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7F3N3.C9H4F4N3.C9H9N4.2C8H7N4.3Pt/c2*1-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13;10-5-1-2-14-6(3-5)7-4-8(16-15-7)9(11,12)13;1-6-7(2)12-13-9(6)8-5-10-3-4-11-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;/h2*2-5H,1H3;1-4H;3-5H,1-2H3;2*2-5H,1H3;;;/q6*-1;3*+2.
What are the key properties of 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))?
2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)) has a molecular weight of 1759.28 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+)) is sourced from PubChem (CID 161352020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).