6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one

C24H26N2O — CID 70121924

IUPAC6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
SMILESCC(C)c1ccc(-n2nc(-c3ccccc3)c3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H26N2O/c1-16(2)17-10-12-19(13-11-17)26-20-14-24(3,4)15-21(27)22(20)23(25-26)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3
InChIKeyQRTJPWGQDFXDIZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.82
Rot. Bonds3

About 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one

6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one (PubChem CID 70121924) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
PubChem CID70121924
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
SMILESCC(C)c1ccc(-n2nc(-c3ccccc3)c3c2CC(C)(C)CC3=O)cc1
InChIInChI=1S/C24H26N2O/c1-16(2)17-10-12-19(13-11-17)26-20-14-24(3,4)15-21(27)22(20)23(25-26)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3
InChIKeyQRTJPWGQDFXDIZ-UHFFFAOYSA-N
XLogP5.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
The IUPAC name of 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one (CID 70121924) is 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one.
What is the SMILES notation for 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
The canonical SMILES for 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one is CC(C)c1ccc(-n2nc(-c3ccccc3)c3c2CC(C)(C)CC3=O)cc1.
What is the InChIKey of 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
The InChIKey is QRTJPWGQDFXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16(2)17-10-12-19(13-11-17)26-20-14-24(3,4)15-21(27)22(20)23(25-26)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one has a molecular weight of 358.49 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one is sourced from PubChem (CID 70121924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).