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Ceftolozane Impurity 5

CAT: 1596-AR-C06832-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06832-02Size:25 Units
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CAS Number
689293-67-2
Synonyms
Tert-butyl (2- (3- (5-amino-1-methyl-1H-pyrazol-4-yl) ureido) ethyl) carbamate
Molecular Formula
C12H22N6O3
Molecular Weight
298.35
API Name
Ceftolozane

Chemical Information

tert-Butyl (2-(3-(5-amino-1-methyl-1H-pyrazol-4-yl)ureido)ethyl)carbamate
CAS Number689293-67-2
PubChem CID21904481
IUPAC Nametert-butyl N-[2-[(5-amino-1-methylpyrazol-4-yl)carbamoylamino]ethyl]carbamate
Molecular FormulaC12H22N6O3
Molecular Weight298.34
XLogP-0.4
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity370
SMILES
CC(C)(C)OC(=O)NCCNC(=O)NC1=C(N(N=C1)C)N
InChI
InChI=1S/C12H22N6O3/c1-12(2,3)21-11(20)15-6-5-14-10(19)17-8-7-16-18(4)9(8)13/h7H,5-6,13H2,1-4H3,(H,15,20)(H2,14,17,19)
InChIKey
RWKXAEKILLOHCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl (2-(3-(5-amino-1-methyl-1H-pyrazol-4-yl)ureido)ethyl)carbamate
CAS: 689293-67-2
CID: 21904481
Formula: C12H22N6O3
MW: 298.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.34
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass298.17533859
Monoisotopic Mass298.17533859
Topological Polar Surface Area123 Ų
Heavy Atom Count21
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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