6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

C9H15N3O — CID 83846677

IUPAC6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c([nH][nH]c2=O)C1
InChIInChI=1S/C9H15N3O/c1-6(2)12-4-3-7-8(5-12)10-11-9(7)13/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyZHNGZMVRFLRZTB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.47
Rot. Bonds1

About 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 83846677) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID83846677
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c([nH][nH]c2=O)C1
InChIInChI=1S/C9H15N3O/c1-6(2)12-4-3-7-8(5-12)10-11-9(7)13/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyZHNGZMVRFLRZTB-UHFFFAOYSA-N
XLogP0.47
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-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-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 83846677) is 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is CC(C)N1CCc2c([nH][nH]c2=O)C1.
What is the InChIKey of 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is ZHNGZMVRFLRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)12-4-3-7-8(5-12)10-11-9(7)13/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83846677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).