3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one

C7H12N2O — CID 132538684

IUPAC3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one
SMILESO=C1CC2CCCCN2N1
InChIInChI=1S/C7H12N2O/c10-7-5-6-3-1-2-4-9(6)8-7/h6H,1-5H2,(H,8,10)
InChIKeyHTNHUFINQHDJSS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.28
Rot. Bonds

About 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one

3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one (PubChem CID 132538684) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one.

Molecular Properties

Compound Name3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one
PubChem CID132538684
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one
SMILESO=C1CC2CCCCN2N1
InChIInChI=1S/C7H12N2O/c10-7-5-6-3-1-2-4-9(6)8-7/h6H,1-5H2,(H,8,10)
InChIKeyHTNHUFINQHDJSS-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one?
The IUPAC name of 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one (CID 132538684) is 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one.
What is the SMILES notation for 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one?
The canonical SMILES for 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one is O=C1CC2CCCCN2N1.
What is the InChIKey of 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one?
The InChIKey is HTNHUFINQHDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-5-6-3-1-2-4-9(6)8-7/h6H,1-5H2,(H,8,10).
What are the key properties of 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one?
3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,7-hexahydro-1H-pyrazolo[1,5-a]pyridin-2-one is sourced from PubChem (CID 132538684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).