5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS: 333761-27-6

Formula: C16H12F3N3O4

SMILES: COC1=C(OC)C=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)(F)F)C(O)=O

IUPAC: 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

InChI: InChI=1S/C16H12F3N3O4/c1-25-11-4-3-8(5-12(11)26-2)10-6-13(16(17,18)19)22-14(21-10)9(7-20-22)15(23)24/h3-7H,1-2H3,(H,23,24)

Composition: C (52.32%), H (3.29%), F (15.52%), N (11.44%), O (17.42%)

Molar Mass: 367.284

Atom Count: 38

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	367.077990367
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	DLJWDFMOTFUAGN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.57
Topological Polar Surface Area	85.95
Polarizability	31.94
Ring Count	3
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	333761-27-6		$233.15-$844.91$233.15$269.51$844.91