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

C9H13N3O — CID 141368938

IUPAC1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone
SMILESCC(=O)n1ncc2c1CCN(C)C2
InChIInChI=1S/C9H13N3O/c1-7(13)12-9-3-4-11(2)6-8(9)5-10-12/h5H,3-4,6H2,1-2H3
InChIKeyRWQJHDLHQXDMEM-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.53
Rot. Bonds

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

1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone (PubChem CID 141368938) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone
PubChem CID141368938
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone
SMILESCC(=O)n1ncc2c1CCN(C)C2
InChIInChI=1S/C9H13N3O/c1-7(13)12-9-3-4-11(2)6-8(9)5-10-12/h5H,3-4,6H2,1-2H3
InChIKeyRWQJHDLHQXDMEM-UHFFFAOYSA-N
XLogP0.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone?
The IUPAC name of 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone (CID 141368938) is 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone is CC(=O)n1ncc2c1CCN(C)C2.
What is the InChIKey of 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone?
The InChIKey is RWQJHDLHQXDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(13)12-9-3-4-11(2)6-8(9)5-10-12/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone?
1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)ethanone is sourced from PubChem (CID 141368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).