Home Other Building Blocks tert-butyl N-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)methyl]carbamate

tert-butyl N-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)methyl]carbamate

CAS No.:
1803591-31-2
Catalog Number:
AG01AGFF
Molecular Formula:
C9H15N3O3
Molecular Weight:
213.2337
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Product Description
Catalog Number:
AG01AGFF
Chemical Name:
tert-butyl N-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)methyl]carbamate
CAS Number:
1803591-31-2
Molecular Formula:
C9H15N3O3
Molecular Weight:
213.2337
MDL Number:
MFCD28397309
IUPAC Name:
tert-butyl N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]carbamate
InChI:
InChI=1S/C9H15N3O3/c1-9(2,3)15-8(14)10-5-6-4-7(13)12-11-6/h4H,5H2,1-3H3,(H,10,14)(H2,11,12,13)
InChI Key:
LAPIHXYKVODQMU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1[nH][nH]c(=O)c1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
213.237g/mol
Monoisotopic Mass:
213.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties