6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one

C19H24N2O — CID 70106261

IUPAC6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one
SMILESCCCc1n[nH]c2c1C(=O)CC(c1ccccc1C(C)C)C2
InChIInChI=1S/C19H24N2O/c1-4-7-16-19-17(21-20-16)10-13(11-18(19)22)15-9-6-5-8-14(15)12(2)3/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21)
InChIKeyXIOLLRAWSNMJGA-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.40
Rot. Bonds4

About 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one

6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 70106261) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID70106261
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one
SMILESCCCc1n[nH]c2c1C(=O)CC(c1ccccc1C(C)C)C2
InChIInChI=1S/C19H24N2O/c1-4-7-16-19-17(21-20-16)10-13(11-18(19)22)15-9-6-5-8-14(15)12(2)3/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21)
InChIKeyXIOLLRAWSNMJGA-UHFFFAOYSA-N
XLogP4.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-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 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one (CID 70106261) is 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one is CCCc1n[nH]c2c1C(=O)CC(c1ccccc1C(C)C)C2.
What is the InChIKey of 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is XIOLLRAWSNMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-7-16-19-17(21-20-16)10-13(11-18(19)22)15-9-6-5-8-14(15)12(2)3/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one?
6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 296.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylphenyl)-3-propyl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 70106261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).