5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 827589-02-6

Formula: C9H9F3N4

SMILES: CC1CC(N2N=CC(C#N)=C2N1)C(F)(F)F

IUPAC: 5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1/C9H9F3N4/c1-5-2-7(9(10,11)12)16-8(15-5)6(3-13)4-14-16/h4-5,7,15H,2H2,1H3

Composition: C (46.96%), H (3.94%), F (24.76%), N (24.34%)

Molar Mass: 230.194

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	230.077930795
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	STXCXNZYLFKKMF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.57
Topological Polar Surface Area	53.64
Polarizability	18.04
Ring Count	2
Rotatable Bond Count	1

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