2-(methylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-(methylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CAS: 175203-36-8

Formula: C10H6F6N4OS

SMILES: CSC1=NN2C(N=C(C=C2C(F)(F)F)C(F)(F)F)=C1C(N)=O

IUPAC: 2-(methylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

InChI: InChI=1S/C10H6F6N4OS/c1-22-8-5(6(17)21)7-18-3(9(11,12)13)2-4(10(14,15)16)20(7)19-8/h2H,1H3,(H2,17,21)

Composition: C (34.89%), H (1.76%), F (33.11%), N (16.28%), O (4.65%), S (9.31%)

Molar Mass: 344.24

Atom Count: 28

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	344.016650981
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LQPGMZRJIRKDEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.38
Topological Polar Surface Area	73.28
Polarizability	23.22
Ring Count	2
Rotatable Bond Count	4

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