6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione

C28H26F3N3O3 — CID 5105448

About 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione

6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione (PubChem CID 5105448) has the molecular formula C28H26F3N3O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.

Molecular Properties

• Compound Name: 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
• PubChem CID: 5105448
• Molecular Formula: C28H26F3N3O3
• Molecular Weight: 509.53 g/mol
• Exact Mass: 509.19
• IUPAC Name: 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
• SMILES: Cc1ccc(N2C(=O)C(c3c(C)[nH]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1
• InChI: InChI=1S/C28H26F3N3O3/c1-16-10-12-18(13-11-16)33-20-14-26(3,4)15-21(35)23(20)27(25(33)37,28(29,30)31)22-17(2)32-34(24(22)36)19-8-6-5-7-9-19/h5-13,32H,14-15H2,1-4H3
• InChIKey: SDOPGOMGIHUEME-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 75.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.53
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?

The IUPAC name of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione (CID 5105448) is 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.

What is the SMILES notation for 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?

The canonical SMILES for 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione is Cc1ccc(N2C(=O)C(c3c(C)[nH]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1.

What is the InChIKey of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?

The InChIKey is SDOPGOMGIHUEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O3/c1-16-10-12-18(13-11-16)33-20-14-26(3,4)15-21(35)23(20)27(25(33)37,28(29,30)31)22-17(2)32-34(24(22)36)19-8-6-5-7-9-19/h5-13,32H,14-15H2,1-4H3.

What are the key properties of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?

6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione has a molecular weight of 509.53 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione is sourced from PubChem (CID 5105448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).