ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate

C10H10FN3O3 — CID 104734591

IUPACethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate
SMILESCCOC(=O)C(F)n1ccn2nccc2c1=O
InChIInChI=1S/C10H10FN3O3/c1-2-17-10(16)8(11)13-5-6-14-7(9(13)15)3-4-12-14/h3-6,8H,2H2,1H3
InChIKeySDRRTAFHTSPZJK-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.53
Rot. Bonds3

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

ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate (PubChem CID 104734591) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate
PubChem CID104734591
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Nameethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate
SMILESCCOC(=O)C(F)n1ccn2nccc2c1=O
InChIInChI=1S/C10H10FN3O3/c1-2-17-10(16)8(11)13-5-6-14-7(9(13)15)3-4-12-14/h3-6,8H,2H2,1H3
InChIKeySDRRTAFHTSPZJK-UHFFFAOYSA-N
XLogP0.53
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

isobutyl 3-(piperidin-1-ylcarbonyl)-1H-pyrazole-1-carboxylate
CID 3243745
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
2-(4-oxo-4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-5-yl)acetic acid
CID 12814061
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
4-Fluoro-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 124053494
4-[(1-propionyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 754448
(1-ethyl-1H-pyrazol-5-yl)[2-(2-morpholinoethyl)piperidino]methanone
CID 53193449
[4-(2-ethoxyethoxy)piperidino](1-methyl-1H-pyrazol-5-yl)methanone
CID 91918336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate (CID 104734591) is ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate is CCOC(=O)C(F)n1ccn2nccc2c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate?
The InChIKey is SDRRTAFHTSPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c1-2-17-10(16)8(11)13-5-6-14-7(9(13)15)3-4-12-14/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate?
ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate has a molecular weight of 239.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)acetate is sourced from PubChem (CID 104734591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).