1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one

C12H11N3O — CID 135839416

IUPAC1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(C)c2[nH]c(=O)c3ccccc3c12
InChIInChI=1S/C12H11N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H,1-2H3,(H,13,16)
InChIKeyQBEHMJNFGVRBAV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.72
Rot. Bonds

About 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one

1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135839416) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135839416
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(C)c2[nH]c(=O)c3ccccc3c12
InChIInChI=1S/C12H11N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H,1-2H3,(H,13,16)
InChIKeyQBEHMJNFGVRBAV-UHFFFAOYSA-N
XLogP1.72
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-3-(2-morpholin-4-ylethyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135524528
4-hydroxy-1,3-dimethyl-5-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135520434
1-methyl-3-(4-pyrrolidin-1-ylphenyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride
CID 135621720
1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135967452
3-methyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135967466
4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135712905
1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135772535
1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
CID 137300644
4-[2-(dimethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
CID 23332760
N-(1H-benzimidazol-2-yl)-3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 135901411
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135839416) is 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cc1nn(C)c2[nH]c(=O)c3ccccc3c12.
What is the InChIKey of 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is QBEHMJNFGVRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H,1-2H3,(H,13,16).
What are the key properties of 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 213.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135839416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).