2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C7H4BrN3O2 — CID 84703019

IUPAC2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Br)nn2c1
InChIInChI=1S/C7H4BrN3O2/c8-5-1-6-9-2-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13)
InChIKeyGSDGBKOTHSRDBL-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.19
Rot. Bonds1

About 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84703019) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84703019
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Br)nn2c1
InChIInChI=1S/C7H4BrN3O2/c8-5-1-6-9-2-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13)
InChIKeyGSDGBKOTHSRDBL-UHFFFAOYSA-N
XLogP1.19
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84703019) is 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2cc(Br)nn2c1.
What is the InChIKey of 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is GSDGBKOTHSRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-5-1-6-9-2-4(7(12)13)3-11(6)10-5/h1-3H,(H,12,13).
What are the key properties of 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).