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3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 304687-28-3

Formula: C14H7BrF3N3O2

SMILES: OC(=O)C1=NN2C(N=C(C=C2C(F)(F)F)C2=CC=CC=C2)=C1Br

IUPAC: 3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C14H7BrF3N3O2/c15-10-11(13(22)23)20-21-9(14(16,17)18)6-8(19-12(10)21)7-4-2-1-3-5-7/h1-6H,(H,22,23)

Composition: C (43.55%), H (1.83%), Br (20.69%), F (14.76%), N (10.88%), O (8.29%)

Molar Mass: 386.128

Atom Count: 30

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 384.967374
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XKSCTZJTTBEZAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.9
Topological Polar Surface Area 67.49
Polarizability 29.87
Ring Count 3
Rotatable Bond Count 3

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