5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 676469-64-0

Formula: C10H6F5N3O2

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

IUPAC: 5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C10H6F5N3O2/c1-4-2-6(9(11,12)10(13,14)15)18-7(16-4)3-5(17-18)8(19)20/h2-3H,1H3,(H,19,20)

Composition: C (40.69%), H (2.05%), F (32.18%), N (14.24%), O (10.84%)

Molar Mass: 295.169

Atom Count: 26

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	295.03801726
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KIKRREFYESDODB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.77
Topological Polar Surface Area	67.49
Polarizability	19.76
Ring Count	2
Rotatable Bond Count	3

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