5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)

C114H102F15Ir3N24O6 — CID 161017067

About 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)

5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide) (PubChem CID 161017067) has the molecular formula C114H102F15Ir3N24O6 and a molecular weight of 2765.85 g/mol. Its IUPAC name is 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide).

Molecular Properties

• Compound Name: 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)
• PubChem CID: 161017067
• Molecular Formula: C114H102F15Ir3N24O6
• Molecular Weight: 2765.85 g/mol
• Exact Mass: 2766.71
• IUPAC Name: 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)
• SMILES: C=O.C=O.C=O.C=O.C=O.C=O.CCn1ccc(-c2[c-]cc(F)cc2C)n1.CCn1ccc(-c2[c-]cc(F)cc2C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2Cc2ccccc2)[n-]n1.[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/C14H10F3N4.2C13H8F3N4.2C12H12FN2.4C11H10FN2.6CH2O.3Ir/c15-14(16,17)12-8-11(19-20-12)13-18-6-7-21(13)9-10-4-2-1-3-5-10;2*14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;2*1-3-15-7-6-12(14-15)11-5-4-10(13)8-9(11)2;4*1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11;6*1-2;;;/h1-8H,9H2;2*1-8H;2*4,6-8H,3H2,1-2H3;4*3,5-7H,1-2H3;6*1H2;;;/q9*-1;;;;;;;3*+3
• InChIKey: WOFNFYVUVKNXRY-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 343.77 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2765.85
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)?

The IUPAC name of 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide) (CID 161017067) is 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide).

What is the SMILES notation for 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)?

The canonical SMILES for 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide) is C=O.C=O.C=O.C=O.C=O.C=O.CCn1ccc(-c2[c-]cc(F)cc2C)n1.CCn1ccc(-c2[c-]cc(F)cc2C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.Cc1cc(F)c[c-]c1-c1ccn(C)n1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2nccn2Cc2ccccc2)[n-]n1.[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)?

The InChIKey is WOFNFYVUVKNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N4.2C13H8F3N4.2C12H12FN2.4C11H10FN2.6CH2O.3Ir/c15-14(16,17)12-8-11(19-20-12)13-18-6-7-21(13)9-10-4-2-1-3-5-10;2*14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;2*1-3-15-7-6-12(14-15)11-5-4-10(13)8-9(11)2;4*1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11;6*1-2;;;/h1-8H,9H2;2*1-8H;2*4,6-8H,3H2,1-2H3;4*3,5-7H,1-2H3;6*1H2;;;/q9*-1;;;;;;;3*+3.

What are the key properties of 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide)?

5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide) has a molecular weight of 2765.85 g/mol, XLogP of 22.65, 15 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;bis(1-ethyl-3-(4-fluoro-2-methylbenzene-6-id-1-yl)pyrazole);tetrakis(3-(4-fluoro-2-methylbenzene-6-id-1-yl)-1-methylpyrazole);formaldehyde;tris(iridium(3+));bis(5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide) is sourced from PubChem (CID 161017067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).