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

C8H11N3O — CID 20784623

IUPAC1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
SMILESCC(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C8H11N3O/c1-6(12)11-4-2-3-7-8(11)5-9-10-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyMLQVERYHPXHGMY-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.71
Rot. Bonds

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

1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone (PubChem CID 20784623) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
PubChem CID20784623
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
SMILESCC(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C8H11N3O/c1-6(12)11-4-2-3-7-8(11)5-9-10-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyMLQVERYHPXHGMY-UHFFFAOYSA-N
XLogP0.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
Pyrazolopiperidine
CID 20784738
Pyrazolopiperidinone
CID 69129225
N-[3-(piperidin-3-yl)-1H-pyrazol-4-yl]acetamide
CID 75480403
1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one
CID 122155597
[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
CID 147392310
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
Pyrazolopiperidinone hydrochloride
CID 129765333
[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 120965655
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974
(2,2-Difluorocyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126790747

Frequently Asked Questions

What is the IUPAC name of 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The IUPAC name of 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone (CID 20784623) is 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The canonical SMILES for 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone is CC(=O)N1CCCc2[nH]ncc21.
What is the InChIKey of 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
The InChIKey is MLQVERYHPXHGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(12)11-4-2-3-7-8(11)5-9-10-7/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone?
1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 20784623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).