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

C24H26F3N3O3 — CID 25027341

IUPAC6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
SMILESCCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C24H26F3N3O3/c1-5-11-29-16-12-22(3,4)13-17(31)19(16)23(21(29)33,24(25,26)27)18-14(2)28-30(20(18)32)15-9-7-6-8-10-15/h6-10,28H,5,11-13H2,1-4H3
InChIKeyMTNQDFWIEBABOS-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.17
Rot. Bonds4

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

6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione (PubChem CID 25027341) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
PubChem CID25027341
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC Name6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
SMILESCCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C24H26F3N3O3/c1-5-11-29-16-12-22(3,4)13-17(31)19(16)23(21(29)33,24(25,26)27)18-14(2)28-30(20(18)32)15-9-7-6-8-10-15/h6-10,28H,5,11-13H2,1-4H3
InChIKeyMTNQDFWIEBABOS-UHFFFAOYSA-N
XLogP4.17
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-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-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione (CID 25027341) is 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-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-propyl-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-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione is CCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?
The InChIKey is MTNQDFWIEBABOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-5-11-29-16-12-22(3,4)13-17(31)19(16)23(21(29)33,24(25,26)27)18-14(2)28-30(20(18)32)15-9-7-6-8-10-15/h6-10,28H,5,11-13H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?
6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione has a molecular weight of 461.48 g/mol, XLogP of 4.17, 4 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-propyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione is sourced from PubChem (CID 25027341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).