6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C7H4BrN3O2 — CID 25220793

IUPAC6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)
InChIKeyOKAAFIKHHROVHN-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.19
Rot. Bonds1

About 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 25220793) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID25220793
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)
InChIKeyOKAAFIKHHROVHN-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 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 25220793) is 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is OKAAFIKHHROVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13).
What are the key properties of 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-bromopyrazolo[1,5-a]pyrimidine-3-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 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 25220793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).