N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine

C58H50N14O — CID 90854554

About N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine

N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine (PubChem CID 90854554) has the molecular formula C58H50N14O and a molecular weight of 959.14 g/mol. Its IUPAC name is N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine.

Molecular Properties

• Compound Name: N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine
• PubChem CID: 90854554
• Molecular Formula: C58H50N14O
• Molecular Weight: 959.14 g/mol
• Exact Mass: 958.43
• IUPAC Name: N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine
• SMILES: CCn1nc(-c2cccc(C)c2)n2nc(C)c(/N=C3\N=C(c4ccccc4)N=C3c3ccccc3)c12.COc1ccc(C2=N/C(=N\c3c(C)nn4c(-c5cccc(C)c5)nn(C)c34)C(c3ccccc3)=N2)cc1
• InChI: InChI=1S/C29H25N7O.C29H25N7/c1-18-9-8-12-22(17-18)28-34-35(3)29-24(19(2)33-36(28)29)30-27-25(20-10-6-5-7-11-20)31-26(32-27)21-13-15-23(37-4)16-14-21;1-4-35-29-24(20(3)33-36(29)28(34-35)23-17-11-12-19(2)18-23)30-27-25(21-13-7-5-8-14-21)31-26(32-27)22-15-9-6-10-16-22/h5-17H,1-4H3;5-18H,4H2,1-3H3/b2*30-27-
• InChIKey: GGKHSVINNPBRKI-LPPQCEDISA-N
• XLogP: 11.15
• TPSA: 153.63 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.14
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine?

The IUPAC name of N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine (CID 90854554) is N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine.

What is the SMILES notation for N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine?

The canonical SMILES for N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine is CCn1nc(-c2cccc(C)c2)n2nc(C)c(/N=C3\N=C(c4ccccc4)N=C3c3ccccc3)c12.COc1ccc(C2=N/C(=N\c3c(C)nn4c(-c5cccc(C)c5)nn(C)c34)C(c3ccccc3)=N2)cc1.

What is the InChIKey of N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine?

The InChIKey is GGKHSVINNPBRKI-LPPQCEDISA-N. The full InChI is InChI=1S/C29H25N7O.C29H25N7/c1-18-9-8-12-22(17-18)28-34-35(3)29-24(19(2)33-36(28)29)30-27-25(20-10-6-5-7-11-20)31-26(32-27)21-13-15-23(37-4)16-14-21;1-4-35-29-24(20(3)33-36(29)28(34-35)23-17-11-12-19(2)18-23)30-27-25(21-13-7-5-8-14-21)31-26(32-27)22-15-9-6-10-16-22/h5-17H,1-4H3;5-18H,4H2,1-3H3/b2*30-27-.

What are the key properties of N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine?

N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine has a molecular weight of 959.14 g/mol, XLogP of 11.15, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,6-dimethyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2-(4-methoxyphenyl)-5-phenylimidazol-4-imine;N-[1-ethyl-6-methyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-yl]-2,5-diphenylimidazol-4-imine is sourced from PubChem (CID 90854554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).