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

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

CAS: 331647-99-5

Formula: C9H6F3N3O2

SMILES: CC1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(O)=O

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

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

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	4
Hydrogen Bond Donor Count	1
InChIKey	UWQIEJSYYZOGBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.1
Topological Polar Surface Area	67.49
Polarizability	18.04
Ring Count	2
Rotatable Bond Count	2

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