methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

CAS: 312635-18-0

Formula: C15H10F3N3O2

SMILES: COC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C1=CC=CC=C1

IUPAC: methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

InChI: InChI=1S/C15H10F3N3O2/c1-23-14(22)10-8-19-21-12(15(16,17)18)7-11(20-13(10)21)9-5-3-2-4-6-9/h2-8H,1H3

Composition: C (56.08%), H (3.14%), F (17.74%), N (13.08%), O (9.96%)

Molar Mass: 321.259

Atom Count: 33

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	321.072511063
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FXTYXRKGGVCCSD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.41
Topological Polar Surface Area	56.49
Polarizability	28.86
Ring Count	3
Rotatable Bond Count	4

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