2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C11H17N3O — CID 105460796

IUPAC2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCc2[nH]n(C3CCC3)c(=O)c2C1
InChIInChI=1S/C11H17N3O/c1-13-6-5-10-9(7-13)11(15)14(12-10)8-3-2-4-8/h8,12H,2-7H2,1H3
InChIKeyLNTINWZXSIGFIJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds1

About 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 105460796) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID105460796
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCc2[nH]n(C3CCC3)c(=O)c2C1
InChIInChI=1S/C11H17N3O/c1-13-6-5-10-9(7-13)11(15)14(12-10)8-3-2-4-8/h8,12H,2-7H2,1H3
InChIKeyLNTINWZXSIGFIJ-UHFFFAOYSA-N
XLogP0.89
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 105496823
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105496819
5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53358630
2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
CID 105479375
2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83196568
ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 145046733
4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115041640
2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 105461939
1-cyclobutyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105474398
2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115040963
2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373843

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 105460796) is 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CN1CCc2[nH]n(C3CCC3)c(=O)c2C1.
What is the InChIKey of 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is LNTINWZXSIGFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-5-10-9(7-13)11(15)14(12-10)8-3-2-4-8/h8,12H,2-7H2,1H3.
What are the key properties of 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 105460796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).