2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C11H6BrN3O3 — CID 82271910

IUPAC2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(Br)o2)nn2cccnc12
InChIInChI=1S/C11H6BrN3O3/c12-7-3-2-6(18-7)9-8(11(16)17)10-13-4-1-5-15(10)14-9/h1-5H,(H,16,17)
InChIKeyXBLKMWULKFJZRF-UHFFFAOYSA-N
MW308.09 g/mol
LogP2.45
Rot. Bonds2

About 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 82271910) has the molecular formula C11H6BrN3O3 and a molecular weight of 308.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID82271910
Molecular FormulaC11H6BrN3O3
Molecular Weight308.09 g/mol
Exact Mass306.96
IUPAC Name2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(Br)o2)nn2cccnc12
InChIInChI=1S/C11H6BrN3O3/c12-7-3-2-6(18-7)9-8(11(16)17)10-13-4-1-5-15(10)14-9/h1-5H,(H,16,17)
InChIKeyXBLKMWULKFJZRF-UHFFFAOYSA-N
XLogP2.45
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 122516643
2-pyrimidin-2-ylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 170965222
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566958
1-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 133054413
2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045926
2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822894
2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 82272165
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71913304

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 82271910) is 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(-c2ccc(Br)o2)nn2cccnc12.
What is the InChIKey of 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is XBLKMWULKFJZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O3/c12-7-3-2-6(18-7)9-8(11(16)17)10-13-4-1-5-15(10)14-9/h1-5H,(H,16,17).
What are the key properties of 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 308.09 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82271910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).