4-benzyl-1-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine

4-benzyl-1-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine

Formula: C28H27F3N4O

SMILES: CC1=CC=C(C=C1C)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)N1CCC(CC2=CC=CC=C2)CC1

IUPAC: 4-benzyl-1-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidine

InChI: InChI=1S/C28H27F3N4O/c1-18-8-9-22(14-19(18)2)23-16-25(28(29,30)31)35-26(32-23)17-24(33-35)27(36)34-12-10-21(11-13-34)15-20-6-4-3-5-7-20/h3-9,14,16-17,21H,10-13,15H2,1-2H3

Composition: C (68.28%), H (5.53%), F (11.57%), N (11.38%), O (3.25%)

Molar Mass: 492.546

Atom Count: 63

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	492.213695994
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LJKNBNFJLDNKTN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.36
Topological Polar Surface Area	50.5
Polarizability	50.47
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27F3N4O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00