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N-benzyl-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Formula: C19H12BrF3N4OS

SMILES: FC(F)(F)C1=CC(=NC2=C(Br)C(=NN12)C(=O)NCC1=CC=CC=C1)C1=CC=CS1

IUPAC: N-benzyl-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

InChI: InChI=1S/C19H12BrF3N4OS/c20-15-16(18(28)24-10-11-5-2-1-3-6-11)26-27-14(19(21,22)23)9-12(25-17(15)27)13-7-4-8-29-13/h1-9H,10H2,(H,24,28)

Composition: C (47.42%), H (2.51%), Br (16.60%), F (11.84%), N (11.64%), O (3.32%), S (6.66%)

Molar Mass: 481.29

Atom Count: 41

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 479.98673
Formal Charge 0
FSP3 0.11
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JNMCSXPXRRNIRS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 117.12
Topological Polar Surface Area 59.29
Polarizability 40.31
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H12BrF3N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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