5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid

C8H9N3O3 — CID 141151928

IUPAC5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESCN1CC(C(=O)O)n2nccc2C1=O
InChIInChI=1S/C8H9N3O3/c1-10-4-6(8(13)14)11-5(7(10)12)2-3-9-11/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyBVBFTRRASRBLIS-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.41
Rot. Bonds1

About 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid

5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 141151928) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID141151928
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid
SMILESCN1CC(C(=O)O)n2nccc2C1=O
InChIInChI=1S/C8H9N3O3/c1-10-4-6(8(13)14)11-5(7(10)12)2-3-9-11/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyBVBFTRRASRBLIS-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid (CID 141151928) is 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid is CN1CC(C(=O)O)n2nccc2C1=O.
What is the InChIKey of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is BVBFTRRASRBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-10-4-6(8(13)14)11-5(7(10)12)2-3-9-11/h2-3,6H,4H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid?
5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 141151928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).