3-Bromo-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine

HCID 86607993
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c(Br)cnn12
InChIKey
ZFWHJJDDUBUMSM-UHFFFAOYSA-N
Molecular formula
C14H7BrF5N3
Average molar mass
392.12 g/mol
Monoisotopic mass
390.97435

Names & identifiers

Preferred name
3-Bromo-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine
IUPAC
3-bromo-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

Names & synonyms

3-bromo-7-difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidineSCHEMBL1346408

Database identifiers

PubChem CID
86607993

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
23

Related reactions

9 records
New reaction record

Compound notes

Loading…