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

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

CAS: 505054-57-9

Formula: C12H12F3N3O2

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

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

InChI: InChI=1S/C12H12F3N3O2/c1-11(2,3)7-5-8(12(13,14)15)18-9(16-7)4-6(17-18)10(19)20/h4-5H,1-3H3,(H,19,20)

Composition: C (50.18%), H (4.21%), F (19.84%), N (14.63%), O (11.14%)

Molar Mass: 287.242

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	287.088161127
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DIAQPHDOZXOALC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.8
Topological Polar Surface Area	67.49
Polarizability	23.38
Ring Count	2
Rotatable Bond Count	3

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