3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine

C12H6BrClFN3 — CID 21035733

IUPAC3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccccc1-c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C12H6BrClFN3/c13-8-6-16-18-11(14)5-10(17-12(8)18)7-3-1-2-4-9(7)15/h1-6H
InChIKeyIXUXOSWFGIFNPB-UHFFFAOYSA-N
MW326.56 g/mol
LogP3.95
Rot. Bonds1

About 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21035733) has the molecular formula C12H6BrClFN3 and a molecular weight of 326.56 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID21035733
Molecular FormulaC12H6BrClFN3
Molecular Weight326.56 g/mol
Exact Mass324.94
IUPAC Name3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccccc1-c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C12H6BrClFN3/c13-8-6-16-18-11(14)5-10(17-12(8)18)7-3-1-2-4-9(7)15/h1-6H
InChIKeyIXUXOSWFGIFNPB-UHFFFAOYSA-N
XLogP3.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine (CID 21035733) is 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine is Fc1ccccc1-c1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IXUXOSWFGIFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3/c13-8-6-16-18-11(14)5-10(17-12(8)18)7-3-1-2-4-9(7)15/h1-6H.
What are the key properties of 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 326.56 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21035733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).