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

C19H24N2O — CID 624659

IUPAC3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccccc2C(C)C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H24N2O/c1-12(2)14-8-6-7-9-15(14)21-16-10-19(4,5)11-17(22)18(16)13(3)20-21/h6-9,12H,10-11H2,1-5H3
InChIKeyRROVOWDNOQXZJY-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.46
Rot. Bonds2

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

3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one (PubChem CID 624659) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
PubChem CID624659
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccccc2C(C)C)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H24N2O/c1-12(2)14-8-6-7-9-15(14)21-16-10-19(4,5)11-17(22)18(16)13(3)20-21/h6-9,12H,10-11H2,1-5H3
InChIKeyRROVOWDNOQXZJY-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
The IUPAC name of 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one (CID 624659) is 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one.
What is the SMILES notation for 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
The canonical SMILES for 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one is Cc1nn(-c2ccccc2C(C)C)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
The InChIKey is RROVOWDNOQXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12(2)14-8-6-7-9-15(14)21-16-10-19(4,5)11-17(22)18(16)13(3)20-21/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one?
3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one has a molecular weight of 296.41 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one is sourced from PubChem (CID 624659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).