6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C7H3BrF3N3 — CID 86277791

IUPAC6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnn2cc(Br)cnc12
InChIInChI=1S/C7H3BrF3N3/c8-4-1-12-6-5(7(9,10)11)2-13-14(6)3-4/h1-3H
InChIKeyZEBGALLABDQKGW-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.51
Rot. Bonds

About 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 86277791) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID86277791
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnn2cc(Br)cnc12
InChIInChI=1S/C7H3BrF3N3/c8-4-1-12-6-5(7(9,10)11)2-13-14(6)3-4/h1-3H
InChIKeyZEBGALLABDQKGW-UHFFFAOYSA-N
XLogP2.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 86277791) is 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZEBGALLABDQKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-4-1-12-6-5(7(9,10)11)2-13-14(6)3-4/h1-3H.
What are the key properties of 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 266.02 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 86277791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).