2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C14H9ClFN3O — CID 103124249

IUPAC2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cnn2ccncc12
InChIInChI=1S/C14H9ClFN3O/c15-12-6-10(16)2-1-9(12)5-14(20)11-7-18-19-4-3-17-8-13(11)19/h1-4,6-8H,5H2
InChIKeyZRVZGOMCUXPIHH-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.95
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103124249) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103124249
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1cnn2ccncc12
InChIInChI=1S/C14H9ClFN3O/c15-12-6-10(16)2-1-9(12)5-14(20)11-7-18-19-4-3-17-8-13(11)19/h1-4,6-8H,5H2
InChIKeyZRVZGOMCUXPIHH-UHFFFAOYSA-N
XLogP2.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124247
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103125577
2-(2,4-difluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124128
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103124249) is 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is O=C(Cc1ccc(F)cc1Cl)c1cnn2ccncc12.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is ZRVZGOMCUXPIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-12-6-10(16)2-1-9(12)5-14(20)11-7-18-19-4-3-17-8-13(11)19/h1-4,6-8H,5H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 289.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103124249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).