1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone

C13H16N4O — CID 113446199

IUPAC1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CCCN(c2nccn3nccc23)C1
InChIInChI=1S/C13H16N4O/c1-10(18)11-3-2-7-16(9-11)13-12-4-5-15-17(12)8-6-14-13/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyZXIIUOIYDYTIQS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds2

About 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone

1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone (PubChem CID 113446199) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone
PubChem CID113446199
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CCCN(c2nccn3nccc23)C1
InChIInChI=1S/C13H16N4O/c1-10(18)11-3-2-7-16(9-11)13-12-4-5-15-17(12)8-6-14-13/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyZXIIUOIYDYTIQS-UHFFFAOYSA-N
XLogP1.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-amine
CID 91811933
(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)methanamine
CID 104729923
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435156
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
4-[3-(bromomethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104734120
2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
CID 104729407
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997
4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-amine
CID 103577532
ethyl (3R)-1-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxylate
CID 95183731
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-2-carbaldehyde
CID 104733726

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone (CID 113446199) is 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone is CC(=O)C1CCCN(c2nccn3nccc23)C1.
What is the InChIKey of 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone?
The InChIKey is ZXIIUOIYDYTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(18)11-3-2-7-16(9-11)13-12-4-5-15-17(12)8-6-14-13/h4-6,8,11H,2-3,7,9H2,1H3.
What are the key properties of 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone?
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone has a molecular weight of 244.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-yl)ethanone is sourced from PubChem (CID 113446199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).