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

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

CAS: 869951-80-4

Formula: C9H6F5N3

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

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

InChI: InChI=1S/C9H6F5N3/c1-5-4-6(8(10,11)9(12,13)14)17-7(16-5)2-3-15-17/h2-4H,1H3

Composition: C (43.04%), H (2.41%), F (37.82%), N (16.73%)

Molar Mass: 251.16

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.04818802
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PSBMSGAGWRVTBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.88
Topological Polar Surface Area	30.19
Polarizability	17.17
Ring Count	2
Rotatable Bond Count	2

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