2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C12H9N3O4 — CID 82271463

IUPAC2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)n2nc(-c3ccco3)cc12
InChIInChI=1S/C12H9N3O4/c1-14-8(12(17)18)6-11(16)15-10(14)5-7(13-15)9-3-2-4-19-9/h2-6H,1H3,(H,17,18)
InChIKeyKDJAAQUYLDIGTE-UHFFFAOYSA-N
MW259.22 g/mol
LogP0.99
Rot. Bonds2

About 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271463) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271463
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCn1c(C(=O)O)cc(=O)n2nc(-c3ccco3)cc12
InChIInChI=1S/C12H9N3O4/c1-14-8(12(17)18)6-11(16)15-10(14)5-7(13-15)9-3-2-4-19-9/h2-6H,1H3,(H,17,18)
InChIKeyKDJAAQUYLDIGTE-UHFFFAOYSA-N
XLogP0.99
TPSA89.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271463) is 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cn1c(C(=O)O)cc(=O)n2nc(-c3ccco3)cc12.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is KDJAAQUYLDIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c1-14-8(12(17)18)6-11(16)15-10(14)5-7(13-15)9-3-2-4-19-9/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).