2-[(tert-butoxycarbonyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-[(tert-butoxycarbonyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS: 1383056-73-2

Formula: C12H14N4O4

SMILES: CC(C)(C)OC(=O)NC1=NN2C=CC=NC2=C1C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

InChI: InChI=1S/C12H14N4O4/c1-12(2,3)20-11(19)14-8-7(10(17)18)9-13-5-4-6-16(9)15-8/h4-6H,1-3H3,(H,17,18)(H,14,15,19)

Composition: C (51.80%), H (5.07%), N (20.13%), O (23.00%)

Molar Mass: 278.268

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.101504947
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	YJHHNBKLVFDPJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.64
Topological Polar Surface Area	105.82
Polarizability	25.98
Ring Count	2
Rotatable Bond Count	4

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