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

C7H4BrN3O2 — CID 771938

IUPAC6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C7H4BrN3O2/c8-4-2-9-6-1-5(7(12)13)10-11(6)3-4/h1-3H,(H,12,13)
InChIKeyWDICXYMIEJAABR-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.19
Rot. Bonds1

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

6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 771938) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID771938
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C7H4BrN3O2/c8-4-2-9-6-1-5(7(12)13)10-11(6)3-4/h1-3H,(H,12,13)
InChIKeyWDICXYMIEJAABR-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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Related Compounds

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 670824
3-Chloropyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 3160253
6-(2-Hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1259795
5-Methylpyrazolo(1,5-a)pyrimidine-7-carboxylic acid
CID 29091059
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 7017531
3-Bromopyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 17024812
6-Methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 18524444
(1,2,4)Triazolo(1,5-a)pyrimidine-7-carboxylic acid
CID 25323807
Pyrazolo(1,5-a)pyrimidine-5-carboxylic acid
CID 28875802
Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 49761445
2-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59451886
7-Methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59764197

Frequently Asked Questions

What is the IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 771938) is 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is WDICXYMIEJAABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-4-2-9-6-1-5(7(12)13)10-11(6)3-4/h1-3H,(H,12,13).
What are the key properties of 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-bromopyrazolo[1,5-a]pyrimidine-2-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-2-carboxylic acid is sourced from PubChem (CID 771938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).