3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)

C55H45F9N24Pt3 — CID 159269751

IUPAC3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)
SMILESCc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cc1cc(-c2nccn2C)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C13H11N4.C10H13N4.3C8H4F3N4.C8H9N4.3Pt/c1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;3*9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;1-6-5-7(11-10-6)8-9-3-4-12(8)2;;;/h2-9H,1H3;4-7H,1-3H3;3*1-4H;3-5H,1-2H3;;;/q6*-1;3*+2
InChIKeyKXOABRIHONGYIC-UHFFFAOYSA-N
MW1798.35 g/mol
LogP9.28
Rot. Bonds8

About 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)

3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine) (PubChem CID 159269751) has the molecular formula C55H45F9N24Pt3 and a molecular weight of 1798.35 g/mol. Its IUPAC name is 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine).

Molecular Properties

Compound Name3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)
PubChem CID159269751
Molecular FormulaC55H45F9N24Pt3
Molecular Weight1798.35 g/mol
Exact Mass1797.31
IUPAC Name3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)
SMILESCc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cc1cc(-c2nccn2C)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C13H11N4.C10H13N4.3C8H4F3N4.C8H9N4.3Pt/c1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;3*9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;1-6-5-7(11-10-6)8-9-3-4-12(8)2;;;/h2-9H,1H3;4-7H,1-3H3;3*1-4H;3-5H,1-2H3;;;/q6*-1;3*+2
InChIKeyKXOABRIHONGYIC-UHFFFAOYSA-N
XLogP9.28
TPSA292.74 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001798.35
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)?
The IUPAC name of 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine) (CID 159269751) is 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine).
What is the SMILES notation for 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)?
The canonical SMILES for 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine) is Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cc1cc(-c2nccn2C)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)?
The InChIKey is KXOABRIHONGYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N4.C10H13N4.3C8H4F3N4.C8H9N4.3Pt/c1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;3*9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;1-6-5-7(11-10-6)8-9-3-4-12(8)2;;;/h2-9H,1H3;4-7H,1-3H3;3*1-4H;3-5H,1-2H3;;;/q6*-1;3*+2.
What are the key properties of 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine)?
3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine) has a molecular weight of 1798.35 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+));tris(4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine) is sourced from PubChem (CID 159269751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).