2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C12H8BrN3OS — CID 103124381

IUPAC2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(Cc1sccc1Br)c1cnn2ccncc12
InChIInChI=1S/C12H8BrN3OS/c13-9-1-4-18-12(9)5-11(17)8-6-15-16-3-2-14-7-10(8)16/h1-4,6-7H,5H2
InChIKeyHDMWNGYVDDNMTO-UHFFFAOYSA-N
MW322.19 g/mol
LogP2.98
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103124381) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103124381
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(Cc1sccc1Br)c1cnn2ccncc12
InChIInChI=1S/C12H8BrN3OS/c13-9-1-4-18-12(9)5-11(17)8-6-15-16-3-2-14-7-10(8)16/h1-4,6-7H,5H2
InChIKeyHDMWNGYVDDNMTO-UHFFFAOYSA-N
XLogP2.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103125577
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
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
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124249
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195473
4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103124100
1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione
CID 103119514

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103124381) is 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is O=C(Cc1sccc1Br)c1cnn2ccncc12.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is HDMWNGYVDDNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-9-1-4-18-12(9)5-11(17)8-6-15-16-3-2-14-7-10(8)16/h1-4,6-7H,5H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 322.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103124381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).