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5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 310451-82-2

Formula: C14H7F4N3O2

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

IUPAC: 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C14H7F4N3O2/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21-12(19-9)6-10(20-21)13(22)23/h1-6H,(H,22,23)

Composition: C (51.70%), H (2.17%), F (23.37%), N (12.92%), O (9.84%)

Molar Mass: 325.223

Atom Count: 30

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 325.047439129
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AFSLRXYYANFMSX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.49
Topological Polar Surface Area 67.49
Polarizability 26.64
Ring Count 3
Rotatable Bond Count 3

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