2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C14H9F2N3O — CID 103125577

IUPAC2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(Cc1c(F)cccc1F)c1cnn2ccncc12
InChIInChI=1S/C14H9F2N3O/c15-11-2-1-3-12(16)9(11)6-14(20)10-7-18-19-5-4-17-8-13(10)19/h1-5,7-8H,6H2
InChIKeyQMYDIADDKGIGRQ-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.43
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103125577) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103125577
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(Cc1c(F)cccc1F)c1cnn2ccncc12
InChIInChI=1S/C14H9F2N3O/c15-11-2-1-3-12(16)9(11)6-14(20)10-7-18-19-5-4-17-8-13(10)19/h1-5,7-8H,6H2
InChIKeyQMYDIADDKGIGRQ-UHFFFAOYSA-N
XLogP2.43
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124249
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124015
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103129309
2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124381
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124878
(2,6-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125523

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103125577) is 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is O=C(Cc1c(F)cccc1F)c1cnn2ccncc12.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is QMYDIADDKGIGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-11-2-1-3-12(16)9(11)6-14(20)10-7-18-19-5-4-17-8-13(10)19/h1-5,7-8H,6H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 273.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103125577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).