5-tert-butyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-tert-butyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 436088-41-4

Formula: C12H16F3N3O2

SMILES: CC(C)(C)C1CC(N2N=C(C=C2N1)C(O)=O)C(F)(F)F

IUPAC: 5-tert-butyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1/C12H16F3N3O2/c1-11(2,3)7-5-8(12(13,14)15)18-9(16-7)4-6(17-18)10(19)20/h4,7-8,16H,5H2,1-3H3,(H,19,20)

Composition: C (49.48%), H (5.54%), F (19.57%), N (14.43%), O (10.99%)

Molar Mass: 291.274

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	291.119461256
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	YKJBBJYORBOEOO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.12
Topological Polar Surface Area	67.15
Polarizability	24.07
Ring Count	2
Rotatable Bond Count	3

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