ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

CAS: 1260243-50-2

Formula: C10H7ClF3N3O2

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

IUPAC: ethyl 5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

InChI: InChI=1S/C10H7ClF3N3O2/c1-2-19-9(18)5-4-15-17-6(10(12,13)14)3-7(11)16-8(5)17/h3-4H,2H2,1H3

Composition: C (40.91%), H (2.40%), Cl (12.07%), F (19.41%), N (14.31%), O (10.90%)

Molar Mass: 293.63

Atom Count: 26

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	293.0178887
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GYTCQPKLGVQZKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.26
Topological Polar Surface Area	56.49
Polarizability	22.17
Ring Count	2
Rotatable Bond Count	4

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