5-oxo-1-(1H-pyrazol-3-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1H-pyrazol-3-yl)pyrrolidine-3-carboxylic acid

CAS: 1171036-90-0

Formula: C8H9N3O3

SMILES: OC(=O)C1CN(C(=O)C1)C1=NNC=C1

IUPAC: 5-oxo-1-(1H-pyrazol-3-yl)pyrrolidine-3-carboxylic acid

InChI: InChI=1/C8H9N3O3/c12-7-3-5(8(13)14)4-11(7)6-1-2-9-10-6/h1-2,5H,3-4H2,(H,9,10)(H,13,14)

Composition: C (49.23%), H (4.65%), N (21.53%), O (24.59%)

Molar Mass: 195.178

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	195.064391162
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	REETVGITVYSDGB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.02
Topological Polar Surface Area	86.29
Polarizability	17.49
Ring Count	2
Rotatable Bond Count	2

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