3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine

C12H5BrF3N3 — CID 146674023

IUPAC3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(F)c(-c2ccnc3c(Br)cnn23)c(F)c1
InChIInChI=1S/C12H5BrF3N3/c13-7-5-18-19-10(1-2-17-12(7)19)11-8(15)3-6(14)4-9(11)16/h1-5H
InChIKeyBEGSAGKRZGNDSX-UHFFFAOYSA-N
MW328.09 g/mol
LogP3.58
Rot. Bonds1

About 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 146674023) has the molecular formula C12H5BrF3N3 and a molecular weight of 328.09 g/mol. Its IUPAC name is 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID146674023
Molecular FormulaC12H5BrF3N3
Molecular Weight328.09 g/mol
Exact Mass326.96
IUPAC Name3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(F)c(-c2ccnc3c(Br)cnn23)c(F)c1
InChIInChI=1S/C12H5BrF3N3/c13-7-5-18-19-10(1-2-17-12(7)19)11-8(15)3-6(14)4-9(11)16/h1-5H
InChIKeyBEGSAGKRZGNDSX-UHFFFAOYSA-N
XLogP3.58
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.09
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine (CID 146674023) is 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine is Fc1cc(F)c(-c2ccnc3c(Br)cnn23)c(F)c1.
What is the InChIKey of 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BEGSAGKRZGNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF3N3/c13-7-5-18-19-10(1-2-17-12(7)19)11-8(15)3-6(14)4-9(11)16/h1-5H.
What are the key properties of 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 328.09 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146674023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).