5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 438227-84-0

Formula: C9H5F4N3O2

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

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

InChI: InChI=1S/C9H5F4N3O2/c10-7(11)3-1-5(8(12)13)16-6(14-3)2-4(15-16)9(17)18/h1-2,7-8H,(H,17,18)

Composition: C (41.08%), H (1.92%), F (28.88%), N (15.97%), O (12.16%)

Molar Mass: 263.152

Atom Count: 23

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	263.031789065
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FRAHNBWWMSAPGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.35
Topological Polar Surface Area	67.49
Polarizability	18.06
Ring Count	2
Rotatable Bond Count	3

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