1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C11H19N3O — CID 83848736

IUPAC1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c(n(C)[nH]c2=O)C1C
InChIInChI=1S/C11H19N3O/c1-7(2)14-6-5-9-10(8(14)3)13(4)12-11(9)15/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyLCOZFAPGWXOCBQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds1

About 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 83848736) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID83848736
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c(n(C)[nH]c2=O)C1C
InChIInChI=1S/C11H19N3O/c1-7(2)14-6-5-9-10(8(14)3)13(4)12-11(9)15/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyLCOZFAPGWXOCBQ-UHFFFAOYSA-N
XLogP1.04
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

methyl 1,7-dimethyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
CID 83850021
(3R)-3-methyl-4-propan-2-ylpiperazin-2-one
CID 176773649
1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
CID 83845996
5-cyclopropyl-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 83847374
1,2-di(propan-2-yl)piperidin-4-one
CID 83636375
1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 84649764
1-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430049
2,5-dimethyl-1-propan-2-ylpiperidin-3-one
CID 580974
2-methyl-3,4-di(propan-2-yl)-1H-pyrazol-5-one
CID 90310299
2,5-dimethyl-1-propan-2-ylpiperidin-3-one;hydrochloride
CID 126477982
1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
CID 170740192
5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 105463388

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 83848736) is 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CC(C)N1CCc2c(n(C)[nH]c2=O)C1C.
What is the InChIKey of 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is LCOZFAPGWXOCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)14-6-5-9-10(8(14)3)13(4)12-11(9)15/h7-8H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83848736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).