3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid

C11H12N4O3 — CID 104729597

IUPAC3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2nccn3nccc23)CCOC1
InChIInChI=1S/C11H12N4O3/c16-10(17)11(2-6-18-7-11)14-9-8-1-3-13-15(8)5-4-12-9/h1,3-5H,2,6-7H2,(H,12,14)(H,16,17)
InChIKeySMJUPUNEXFUUGN-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.38
Rot. Bonds3

About 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid

3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid (PubChem CID 104729597) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid
PubChem CID104729597
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2nccn3nccc23)CCOC1
InChIInChI=1S/C11H12N4O3/c16-10(17)11(2-6-18-7-11)14-9-8-1-3-13-15(8)5-4-12-9/h1,3-5H,2,6-7H2,(H,12,14)(H,16,17)
InChIKeySMJUPUNEXFUUGN-UHFFFAOYSA-N
XLogP0.38
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
CID 104729585
3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 64889835
4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol
CID 104731933
3-[(2-methylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 64889068
4-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-4-carboxylic acid
CID 115292205
3-[(6-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536236
2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
CID 104729413
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
3-(quinoxaline-5-carbonylamino)oxolane-3-carboxylic acid
CID 104614138
4-[(2-cyano-3-pyridinyl)amino]oxane-4-carboxylic acid
CID 113280253
1-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 104729723
3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888794

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid (CID 104729597) is 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid is O=C(O)C1(Nc2nccn3nccc23)CCOC1.
What is the InChIKey of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid?
The InChIKey is SMJUPUNEXFUUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-10(17)11(2-6-18-7-11)14-9-8-1-3-13-15(8)5-4-12-9/h1,3-5H,2,6-7H2,(H,12,14)(H,16,17).
What are the key properties of 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid?
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 104729597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).