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5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 848436-25-9

Formula: C16H12F3N3O2

SMILES: CC1=C(C)C=C(C=C1)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(O)=O

IUPAC: 5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C16H12F3N3O2/c1-8-3-4-10(5-9(8)2)11-6-13(16(17,18)19)22-14(20-11)7-12(21-22)15(23)24/h3-7H,1-2H3,(H,23,24)

Composition: C (57.32%), H (3.61%), F (17.00%), N (12.53%), O (9.54%)

Molar Mass: 335.286

Atom Count: 36

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 335.088161127
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BZBLGRDYDFDPRW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.36
Topological Polar Surface Area 67.49
Polarizability 30.3
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 848436-25-9 $202.14$202.14
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