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7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS: 863305-82-2

Formula: C15H11F3N4O2

SMILES: CC1=NN2C(N=CC(C(O)=O)=C2N)=C1C1=CC=CC(=C1)C(F)(F)F

IUPAC: 7-amino-2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

InChI: InChI=1S/C15H11F3N4O2/c1-7-11(8-3-2-4-9(5-8)15(16,17)18)13-20-6-10(14(23)24)12(19)22(13)21-7/h2-6H,19H2,1H3,(H,23,24)

Composition: C (53.58%), H (3.30%), F (16.95%), N (16.66%), O (9.52%)

Molar Mass: 336.274

Atom Count: 35

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 336.083410099
Formal Charge 0
FSP3 0.13
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VFCQYZIFTWAWJV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.68
Topological Polar Surface Area 93.51
Polarizability 29.71
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 863305-82-2 $51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05
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