Home Carboxys tert-butyl 3-(3-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate

CAS No.:
1803583-18-7
Catalog Number:
AG01AGBD
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
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Product Description
Catalog Number:
AG01AGBD
Chemical Name:
tert-butyl 3-(3-amino-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CAS Number:
1803583-18-7
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
MDL Number:
MFCD28023692
IUPAC Name:
tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-6-4-9(8-15)16-7-5-10(13)14-16/h5,7,9H,4,6,8H2,1-3H3,(H2,13,14)
InChI Key:
JJBRAKJDQVIEFK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)n1ccc(n1)N)OC(C)(C)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.159g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.318g/mol
Monoisotopic Mass:
252.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties