2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H11BrF3N3 — CID 3398567

IUPAC2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)nn12
InChIInChI=1S/C19H11BrF3N3/c20-14-8-6-13(7-9-14)16-11-18-24-15(12-4-2-1-3-5-12)10-17(19(21,22)23)26(18)25-16/h1-11H
InChIKeyFJVLNXARWRMEFT-UHFFFAOYSA-N
MW418.22 g/mol
LogP5.84
Rot. Bonds2

About 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3398567) has the molecular formula C19H11BrF3N3 and a molecular weight of 418.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID3398567
Molecular FormulaC19H11BrF3N3
Molecular Weight418.22 g/mol
Exact Mass417.01
IUPAC Name2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)nn12
InChIInChI=1S/C19H11BrF3N3/c20-14-8-6-13(7-9-14)16-11-18-24-15(12-4-2-1-3-5-12)10-17(19(21,22)23)26(18)25-16/h1-11H
InChIKeyFJVLNXARWRMEFT-UHFFFAOYSA-N
XLogP5.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.22
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 3398567) is 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)nn12.
What is the InChIKey of 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FJVLNXARWRMEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrF3N3/c20-14-8-6-13(7-9-14)16-11-18-24-15(12-4-2-1-3-5-12)10-17(19(21,22)23)26(18)25-16/h1-11H.
What are the key properties of 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 418.22 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3398567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).