6-bromopyrazolo[1,5-a]pyrimidine

C6H4BrN3 — CID 22236701

IUPAC6-bromopyrazolo[1,5-a]pyrimidine
SMILESBrc1cnc2ccnn2c1
InChIInChI=1S/C6H4BrN3/c7-5-3-8-6-1-2-9-10(6)4-5/h1-4H
InChIKeyVDHTXLUCUNPVLO-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.49
Rot. Bonds

About 6-bromopyrazolo[1,5-a]pyrimidine

6-bromopyrazolo[1,5-a]pyrimidine (PubChem CID 22236701) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 6-bromopyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromopyrazolo[1,5-a]pyrimidine
PubChem CID22236701
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name6-bromopyrazolo[1,5-a]pyrimidine
SMILESBrc1cnc2ccnn2c1
InChIInChI=1S/C6H4BrN3/c7-5-3-8-6-1-2-9-10(6)4-5/h1-4H
InChIKeyVDHTXLUCUNPVLO-UHFFFAOYSA-N
XLogP1.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine (CID 22236701) is 6-bromopyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromopyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromopyrazolo[1,5-a]pyrimidine is Brc1cnc2ccnn2c1.
What is the InChIKey of 6-bromopyrazolo[1,5-a]pyrimidine?
The InChIKey is VDHTXLUCUNPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-3-8-6-1-2-9-10(6)4-5/h1-4H.
What are the key properties of 6-bromopyrazolo[1,5-a]pyrimidine?
6-bromopyrazolo[1,5-a]pyrimidine has a molecular weight of 198.02 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22236701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).