5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl chloride

5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl chloride

CAS: 870261-22-6

Formula: C15H6ClF6N3O

SMILES: FC1=CC=C(C=C1)C1=NC2=CC(=NN2C(=C1)C(F)(F)C(F)(F)F)C(Cl)=O

IUPAC: 5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl chloride

InChI: InChI=1S/C15H6ClF6N3O/c16-13(26)10-6-12-23-9(7-1-3-8(17)4-2-7)5-11(25(12)24-10)14(18,19)15(20,21)22/h1-6H

Composition: C (45.77%), H (1.54%), Cl (9.00%), F (28.96%), N (10.67%), O (4.06%)

Molar Mass: 393.67

Atom Count: 32

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	393.0103585
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YNWODFPHUOSESK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.02
Topological Polar Surface Area	47.26
Polarizability	29.68
Ring Count	3
Rotatable Bond Count	4

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