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

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

CAS: 861408-98-2

Formula: C11H8F3N3O2

SMILES: OC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C1CC1

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

InChI: InChI=1S/C11H8F3N3O2/c12-11(13,14)8-3-7(5-1-2-5)16-9-6(10(18)19)4-15-17(8)9/h3-5H,1-2H2,(H,18,19)

Composition: C (48.72%), H (2.97%), F (21.02%), N (15.49%), O (11.80%)

Molar Mass: 271.199

Atom Count: 27

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.056860999
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey AHOQVWZLSOACNB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.87
Topological Polar Surface Area 67.49
Polarizability 20.92
Ring Count 3
Rotatable Bond Count 3

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95% <14 Days 861408-98-2 $447.93$447.93
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Crea-Chim UAB
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