2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C10H6BrN5O2 — CID 168966561

IUPAC2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-n2cccn2)n2nc(Br)cc2n1
InChIInChI=1S/C10H6BrN5O2/c11-7-5-8-13-6(10(17)18)4-9(16(8)14-7)15-3-1-2-12-15/h1-5H,(H,17,18)
InChIKeyJGOHJLMTCZFORB-UHFFFAOYSA-N
MW308.10 g/mol
LogP1.38
Rot. Bonds2

About 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 168966561) has the molecular formula C10H6BrN5O2 and a molecular weight of 308.10 g/mol. Its IUPAC name is 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID168966561
Molecular FormulaC10H6BrN5O2
Molecular Weight308.10 g/mol
Exact Mass306.97
IUPAC Name2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(-n2cccn2)n2nc(Br)cc2n1
InChIInChI=1S/C10H6BrN5O2/c11-7-5-8-13-6(10(17)18)4-9(16(8)14-7)15-3-1-2-12-15/h1-5H,(H,17,18)
InChIKeyJGOHJLMTCZFORB-UHFFFAOYSA-N
XLogP1.38
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 168966561) is 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(-n2cccn2)n2nc(Br)cc2n1.
What is the InChIKey of 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is JGOHJLMTCZFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5O2/c11-7-5-8-13-6(10(17)18)4-9(16(8)14-7)15-3-1-2-12-15/h1-5H,(H,17,18).
What are the key properties of 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 308.10 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-pyrazol-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 168966561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).