3,5-diethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylate

3,5-diethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylate

CAS: 937601-37-1

Formula: C13H12F3N3O4

SMILES: CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C(=O)OCC

IUPAC: 3,5-diethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylate

InChI: InChI=1S/C13H12F3N3O4/c1-3-22-11(20)7-6-17-19-9(13(14,15)16)5-8(18-10(7)19)12(21)23-4-2/h5-6H,3-4H2,1-2H3

Composition: C (47.14%), H (3.65%), F (17.21%), N (12.69%), O (19.32%)

Molar Mass: 331.251

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	331.077990367
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	INRNGZJMXYNPIL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.8
Topological Polar Surface Area	82.79
Polarizability	26.44
Ring Count	2
Rotatable Bond Count	7

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