8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one

C18H19N3O — CID 9350282

IUPAC8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one
SMILESCC1(C)CCc2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1
InChIInChI=1S/C18H19N3O/c1-18(2)9-8-12-11-19-16-15(14(12)10-18)17(22)21(20-16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,19,20)
InChIKeyYPHUEGAXLVAQPW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.23
Rot. Bonds1

About 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one

8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one (PubChem CID 9350282) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one.

Molecular Properties

Compound Name8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one
PubChem CID9350282
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one
SMILESCC1(C)CCc2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1
InChIInChI=1S/C18H19N3O/c1-18(2)9-8-12-11-19-16-15(14(12)10-18)17(22)21(20-16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,19,20)
InChIKeyYPHUEGAXLVAQPW-UHFFFAOYSA-N
XLogP3.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-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 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one?
The IUPAC name of 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one (CID 9350282) is 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one.
What is the SMILES notation for 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one?
The canonical SMILES for 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one is CC1(C)CCc2cnc3[nH]n(-c4ccccc4)c(=O)c3c2C1.
What is the InChIKey of 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one?
The InChIKey is YPHUEGAXLVAQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2)9-8-12-11-19-16-15(14(12)10-18)17(22)21(20-16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,19,20).
What are the key properties of 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one?
8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-phenyl-3,6,7,9-tetrahydropyrazolo[3,4-c]isoquinolin-1-one is sourced from PubChem (CID 9350282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).