5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 332375-43-6

Formula: C15H8F3N3O4

SMILES: OC(=O)C1=NN2C(=C1)N=C(C=C2C(F)(F)F)C1=CC2=C(OCO2)C=C1

IUPAC: 5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C15H8F3N3O4/c16-15(17,18)12-4-8(7-1-2-10-11(3-7)25-6-24-10)19-13-5-9(14(22)23)20-21(12)13/h1-5H,6H2,(H,22,23)

Composition: C (51.29%), H (2.30%), F (16.23%), N (11.96%), O (18.22%)

Molar Mass: 351.241

Atom Count: 33

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	351.046690239
Formal Charge	0
FSP3	0.13
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	BONASGVJJHRBTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.04
Topological Polar Surface Area	85.95
Polarizability	29.43
Ring Count	4
Rotatable Bond Count	3

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