7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 828276-01-3

Formula: C13H8FN3O2

SMILES: OC(=O)C1=NN2C(=C1)N=CC=C2C1=CC=C(F)C=C1

IUPAC: 7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)11-5-6-15-12-7-10(13(18)19)16-17(11)12/h1-7H,(H,18,19)

Composition: C (60.70%), H (3.14%), F (7.39%), N (16.34%), O (12.44%)

Molar Mass: 257.224

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	257.060054673
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KEPLEJMWLKXTOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.89
Topological Polar Surface Area	67.49
Polarizability	25.35
Ring Count	3
Rotatable Bond Count	2

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