1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone

C13H19N3O2 — CID 145091366

IUPAC1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(C)nn2C2CCOC2)C1
InChIInChI=1S/C13H19N3O2/c1-9-12-7-15(10(2)17)5-3-13(12)16(14-9)11-4-6-18-8-11/h11H,3-8H2,1-2H3
InChIKeyUNUVPSMXSPUVJF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.06
Rot. Bonds1

About 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone

1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 145091366) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
PubChem CID145091366
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(C)nn2C2CCOC2)C1
InChIInChI=1S/C13H19N3O2/c1-9-12-7-15(10(2)17)5-3-13(12)16(14-9)11-4-6-18-8-11/h11H,3-8H2,1-2H3
InChIKeyUNUVPSMXSPUVJF-UHFFFAOYSA-N
XLogP1.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

ethane;1-[1-(2-hydroxyspiro[3.5]nonan-7-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 176986597
1-[3-ethenyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139398452
1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373354
1-[3-(7-chloro-4-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376978
1-[3-[2-fluoro-4-(2-methyl-1,3-oxazol-5-yl)anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121383171
1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-pyrimidin-5-ylethanone
CID 147638153
1-[3-(N-[4-(1-methylpyrazol-4-yl)phenyl]anilino)-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373094
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376993
1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160569517
1-[1-(oxolan-3-yl)-3-[7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376910
1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139382486
1-[3-[6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145105864

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone (CID 145091366) is 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(C)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is UNUVPSMXSPUVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-12-7-15(10(2)17)5-3-13(12)16(14-9)11-4-6-18-8-11/h11H,3-8H2,1-2H3.
What are the key properties of 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone?
1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 145091366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).