bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole

C68H65Ir5N10-5 — CID 158002026

About bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole

bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole (PubChem CID 158002026) has the molecular formula C68H65Ir5N10-5 and a molecular weight of 1983.42 g/mol. Its IUPAC name is bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole.

Molecular Properties

• Compound Name: bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole
• PubChem CID: 158002026
• Molecular Formula: C68H65Ir5N10-5
• Molecular Weight: 1983.42 g/mol
• Exact Mass: 1986.36
• IUPAC Name: bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole
• SMILES: CCc1cn(-c2[c-]cccc2)nc1C.Cc1cc[c-]c(-n2cc(-c3ccccc3)c(C)n2)c1.Cc1cc[c-]c(-n2cc(C)c(-c3ccccc3)n2)c1.Cc1cn(-c2[c-]cccc2)nc1C.Cc1cn(-c2[c-]cccc2)nc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C17H15N2.C12H13N2.2C11H11N2.5Ir/c1-13-7-6-10-16(11-13)19-12-17(14(2)18-19)15-8-4-3-5-9-15;1-13-7-6-10-16(11-13)19-12-14(2)17(18-19)15-8-4-3-5-9-15;1-3-11-9-14(13-10(11)2)12-7-5-4-6-8-12;2*1-9-8-13(12-10(9)2)11-6-4-3-5-7-11;;;;;/h2*3-9,11-12H,1-2H3;4-7,9H,3H2,1-2H3;2*3-6,8H,1-2H3;;;;;/q5*-1
• InChIKey: CLSIQQOLKSESAI-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 89.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1983.42
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole?

The IUPAC name of bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole (CID 158002026) is bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole.

What is the SMILES notation for bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole?

The canonical SMILES for bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole is CCc1cn(-c2[c-]cccc2)nc1C.Cc1cc[c-]c(-n2cc(-c3ccccc3)c(C)n2)c1.Cc1cc[c-]c(-n2cc(C)c(-c3ccccc3)n2)c1.Cc1cn(-c2[c-]cccc2)nc1C.Cc1cn(-c2[c-]cccc2)nc1C.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole?

The InChIKey is CLSIQQOLKSESAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N2.C12H13N2.2C11H11N2.5Ir/c1-13-7-6-10-16(11-13)19-12-17(14(2)18-19)15-8-4-3-5-9-15;1-13-7-6-10-16(11-13)19-12-14(2)17(18-19)15-8-4-3-5-9-15;1-3-11-9-14(13-10(11)2)12-7-5-4-6-8-12;2*1-9-8-13(12-10(9)2)11-6-4-3-5-7-11;;;;;/h2*3-9,11-12H,1-2H3;4-7,9H,3H2,1-2H3;2*3-6,8H,1-2H3;;;;;/q5*-1;;;;;.

What are the key properties of bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole?

bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole has a molecular weight of 1983.42 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,4-dimethyl-1-phenylpyrazole);4-ethyl-3-methyl-1-phenylpyrazole;pentakis(iridium);3-methyl-1-(3-methylbenzene-6-id-1-yl)-4-phenylpyrazole;4-methyl-1-(3-methylbenzene-6-id-1-yl)-3-phenylpyrazole is sourced from PubChem (CID 158002026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).