1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one

C10H7N3O — CID 103123919

IUPAC1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
SMILESC#CCC(=O)c1cnn2ccncc12
InChIInChI=1S/C10H7N3O/c1-2-3-10(14)8-6-12-13-5-4-11-7-9(8)13/h1,4-7H,3H2
InChIKeyLQHRAPQXTBRPEV-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.94
Rot. Bonds2

About 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one

1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one (PubChem CID 103123919) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
PubChem CID103123919
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
SMILESC#CCC(=O)c1cnn2ccncc12
InChIInChI=1S/C10H7N3O/c1-2-3-10(14)8-6-12-13-5-4-11-7-9(8)13/h1,4-7H,3H2
InChIKeyLQHRAPQXTBRPEV-UHFFFAOYSA-N
XLogP0.94
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate
CID 103513084
4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103124100
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103125577
3-cyclopentyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-one
CID 114192929
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124878

Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one?
The IUPAC name of 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one (CID 103123919) is 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one is C#CCC(=O)c1cnn2ccncc12.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one?
The InChIKey is LQHRAPQXTBRPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-3-10(14)8-6-12-13-5-4-11-7-9(8)13/h1,4-7H,3H2.
What are the key properties of 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one?
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one has a molecular weight of 185.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one is sourced from PubChem (CID 103123919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).