methyl 2-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate

methyl 2-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate

Formula: C22H15F3N4O3

SMILES: COC(=O)C1=CC=CC=C1NC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C1=CC=CC=C1

IUPAC: methyl 2-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-amido]benzoate

InChI: InChI=1S/C22H15F3N4O3/c1-32-21(31)14-9-5-6-10-16(14)28-20(30)15-12-26-29-18(22(23,24)25)11-17(27-19(15)29)13-7-3-2-4-8-13/h2-12H,1H3,(H,28,30)

Composition: C (60.00%), H (3.43%), F (12.94%), N (12.72%), O (10.90%)

Molar Mass: 440.382

Atom Count: 47

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	440.109624848
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FRQGKUVDFHQRAU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.95
Topological Polar Surface Area	85.59
Polarizability	41.42
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H15F3N4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00