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

C8H11N3O — CID 20784618

IUPAC1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C8H11N3O/c1-6(12)11-3-2-8-7(5-11)4-9-10-8/h4H,2-3,5H2,1H3,(H,9,10)
InChIKeyHRXARCRTXOMHQC-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.31
Rot. Bonds

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

1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 20784618) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID20784618
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C8H11N3O/c1-6(12)11-3-2-8-7(5-11)4-9-10-8/h4H,2-3,5H2,1H3,(H,9,10)
InChIKeyHRXARCRTXOMHQC-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CID 37818370
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 2760583
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine dihydrochloride
CID 2760582
5-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 20825790
1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 57345832
4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 53505081
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110256062

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone (CID 20784618) is 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is HRXARCRTXOMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(12)11-3-2-8-7(5-11)4-9-10-8/h4H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone?
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 20784618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).