4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid

C7H5N3O3 — CID 150678861

IUPAC4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc[nH]c(=O)c12
InChIInChI=1S/C7H5N3O3/c11-6-5-4(7(12)13)3-9-10(5)2-1-8-6/h1-3H,(H,8,11)(H,12,13)
InChIKeyJHLGEVQJFVIXLY-UHFFFAOYSA-N
MW179.14 g/mol
LogP-0.28
Rot. Bonds1

About 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid

4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 150678861) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID150678861
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc[nH]c(=O)c12
InChIInChI=1S/C7H5N3O3/c11-6-5-4(7(12)13)3-9-10(5)2-1-8-6/h1-3H,(H,8,11)(H,12,13)
InChIKeyJHLGEVQJFVIXLY-UHFFFAOYSA-N
XLogP-0.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212449
5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175276829
5-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 172640831
4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 71699701
5-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680695
3-fluoropyrazolo[1,5-a]pyridine-4-carboxylic acid
CID 146457225
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
4-[[bis(prop-2-enyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212435
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
CID 170914839
4-[(4-methylpiperidin-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212424
5-formylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 175176217

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 150678861) is 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid is O=C(O)c1cnn2cc[nH]c(=O)c12.
What is the InChIKey of 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is JHLGEVQJFVIXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-5-4(7(12)13)3-9-10(5)2-1-8-6/h1-3H,(H,8,11)(H,12,13).
What are the key properties of 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 150678861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).