methyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS: 932240-81-8

Formula: C9H6F3N3O2

SMILES: COC(=O)C1=NN2C(=C1)N=CC=C2C(F)(F)F

IUPAC: methyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

InChI: InChI=1S/C9H6F3N3O2/c1-17-8(16)5-4-7-13-3-2-6(9(10,11)12)15(7)14-5/h2-4H,1H3

Composition: C (44.09%), H (2.47%), F (23.25%), N (17.14%), O (13.05%)

Molar Mass: 245.161

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.041210934
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	REPRLNJJTUJBIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.28
Topological Polar Surface Area	56.49
Polarizability	18.32
Ring Count	2
Rotatable Bond Count	3

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