3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid

C13H11N3O4 — CID 104734630

IUPAC3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc2c(=O)n(Cc3ccoc3C(=O)O)ccn2n1
InChIInChI=1S/C13H11N3O4/c1-8-6-10-12(17)15(3-4-16(10)14-8)7-9-2-5-20-11(9)13(18)19/h2-6H,7H2,1H3,(H,18,19)
InChIKeyUZWLVYJSKYVIEQ-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.14
Rot. Bonds3

About 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid

3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid (PubChem CID 104734630) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
PubChem CID104734630
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc2c(=O)n(Cc3ccoc3C(=O)O)ccn2n1
InChIInChI=1S/C13H11N3O4/c1-8-6-10-12(17)15(3-4-16(10)14-8)7-9-2-5-20-11(9)13(18)19/h2-6H,7H2,1H3,(H,18,19)
InChIKeyUZWLVYJSKYVIEQ-UHFFFAOYSA-N
XLogP1.14
TPSA89.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid (CID 104734630) is 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid is Cc1cc2c(=O)n(Cc3ccoc3C(=O)O)ccn2n1.
What is the InChIKey of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid?
The InChIKey is UZWLVYJSKYVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-6-10-12(17)15(3-4-16(10)14-8)7-9-2-5-20-11(9)13(18)19/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid?
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 104734630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).