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

C23H24F3N3O3 — CID 25027340

IUPAC1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
SMILESCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C23H24F3N3O3/c1-5-28-15-11-21(3,4)12-16(30)18(15)22(20(28)32,23(24,25)26)17-13(2)27-29(19(17)31)14-9-7-6-8-10-14/h6-10,27H,5,11-12H2,1-4H3
InChIKeyWRMRRJYVWNKAIL-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.78
Rot. Bonds3

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

1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione (PubChem CID 25027340) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
PubChem CID25027340
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
SMILESCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C23H24F3N3O3/c1-5-28-15-11-21(3,4)12-16(30)18(15)22(20(28)32,23(24,25)26)17-13(2)27-29(19(17)31)14-9-7-6-8-10-14/h6-10,27H,5,11-12H2,1-4H3
InChIKeyWRMRRJYVWNKAIL-UHFFFAOYSA-N
XLogP3.78
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?
The IUPAC name of 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione (CID 25027340) is 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.
What is the SMILES notation for 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?
The canonical SMILES for 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione is CCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?
The InChIKey is WRMRRJYVWNKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-5-28-15-11-21(3,4)12-16(30)18(15)22(20(28)32,23(24,25)26)17-13(2)27-29(19(17)31)14-9-7-6-8-10-14/h6-10,27H,5,11-12H2,1-4H3.
What are the key properties of 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione?
1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione has a molecular weight of 447.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-dimethyl-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione is sourced from PubChem (CID 25027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).