2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid

C8H6FN3O3 — CID 104734590

IUPAC2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid
SMILESO=C(O)C(F)n1ccn2nccc2c1=O
InChIInChI=1S/C8H6FN3O3/c9-6(8(14)15)11-3-4-12-5(7(11)13)1-2-10-12/h1-4,6H,(H,14,15)
InChIKeyGMGQIRDCSIZGFJ-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.05
Rot. Bonds2

About 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid

2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid (PubChem CID 104734590) has the molecular formula C8H6FN3O3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid
PubChem CID104734590
Molecular FormulaC8H6FN3O3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid
SMILESO=C(O)C(F)n1ccn2nccc2c1=O
InChIInChI=1S/C8H6FN3O3/c9-6(8(14)15)11-3-4-12-5(7(11)13)1-2-10-12/h1-4,6H,(H,14,15)
InChIKeyGMGQIRDCSIZGFJ-UHFFFAOYSA-N
XLogP0.05
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-(4-oxo-4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-5-yl)acetic acid
CID 12814061
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
7-hydroxy-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 121605642
[2-(difluoromethyl)pyrazol-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51428515
N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
CID 75444492
2-[5-(azocan-1-ylcarbonyl)-1H-pyrazol-1-yl]ethanol
CID 119070590

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid (CID 104734590) is 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid is O=C(O)C(F)n1ccn2nccc2c1=O.
What is the InChIKey of 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
The InChIKey is GMGQIRDCSIZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O3/c9-6(8(14)15)11-3-4-12-5(7(11)13)1-2-10-12/h1-4,6H,(H,14,15).
What are the key properties of 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid?
2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid has a molecular weight of 211.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetic acid is sourced from PubChem (CID 104734590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).