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

C7H2BrClF3N3 — CID 21066435

IUPAC3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C7H2BrClF3N3/c8-3-2-13-15-5(9)1-4(7(10,11)12)14-6(3)15/h1-2H
InChIKeyQOUUOFRWWAFTHZ-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.16
Rot. Bonds

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

3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21066435) has the molecular formula C7H2BrClF3N3 and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID21066435
Molecular FormulaC7H2BrClF3N3
Molecular Weight300.47 g/mol
Exact Mass298.91
IUPAC Name3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C7H2BrClF3N3/c8-3-2-13-15-5(9)1-4(7(10,11)12)14-6(3)15/h1-2H
InChIKeyQOUUOFRWWAFTHZ-UHFFFAOYSA-N
XLogP3.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.16
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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 21066435) is 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QOUUOFRWWAFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF3N3/c8-3-2-13-15-5(9)1-4(7(10,11)12)14-6(3)15/h1-2H.
What are the key properties of 3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 300.47 g/mol, XLogP of 3.16, 0 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-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).