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

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

CAS: 869945-20-0

Formula: C8H7F3N4

SMILES: FC(F)(F)C1CCNC2=C(C=NN12)C#N

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

InChI: InChI=1/C8H7F3N4/c9-8(10,11)6-1-2-13-7-5(3-12)4-14-15(6)7/h4,6,13H,1-2H2

Composition: C (44.45%), H (3.26%), F (26.37%), N (25.92%)

Molar Mass: 216.167

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	216.06228073
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YTBDJQJHTBGQDN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.15
Topological Polar Surface Area	53.64
Polarizability	16.26
Ring Count	2
Rotatable Bond Count	1

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