1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone

C9H13N3O — CID 89297108

IUPAC1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ncc2c1CCC(C)N2
InChIInChI=1S/C9H13N3O/c1-6-3-4-9-8(11-6)5-10-12(9)7(2)13/h5-6,11H,3-4H2,1-2H3
InChIKeyRVEMMEGQTSZUKF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.29
Rot. Bonds

About 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone

1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone (PubChem CID 89297108) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone
PubChem CID89297108
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ncc2c1CCC(C)N2
InChIInChI=1S/C9H13N3O/c1-6-3-4-9-8(11-6)5-10-12(9)7(2)13/h5-6,11H,3-4H2,1-2H3
InChIKeyRVEMMEGQTSZUKF-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone (CID 89297108) is 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone is CC(=O)n1ncc2c1CCC(C)N2.
What is the InChIKey of 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone?
The InChIKey is RVEMMEGQTSZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-3-4-9-8(11-6)5-10-12(9)7(2)13/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone?
1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 89297108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).