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2-(3-bromophenyl)-5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(3-bromophenyl)-5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Formula: C17H15BrF3N3

SMILES: CC(C)(C)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C1=CC(Br)=CC=C1

IUPAC: 2-(3-bromophenyl)-5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

InChI: InChI=1S/C17H15BrF3N3/c1-16(2,3)13-9-14(17(19,20)21)24-15(22-13)8-12(23-24)10-5-4-6-11(18)7-10/h4-9H,1-3H3

Composition: C (51.27%), H (3.80%), Br (20.06%), F (14.31%), N (10.55%)

Molar Mass: 398.227

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 397.040145
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BLAYSANHKSCKGI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 100.31
Topological Polar Surface Area 30.19
Polarizability 34.46
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15BrF3N3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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