Home Carboxys rac-tert-butyl (3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylate, trans

rac-tert-butyl (3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylate, trans

CAS No.:
1969288-55-8
Catalog Number:
AG01B56M
Molecular Formula:
C14H23N3O2
Molecular Weight:
265.3513
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Product Description
Catalog Number:
AG01B56M
Chemical Name:
rac-tert-butyl (3R,4S)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylate, trans
CAS Number:
1969288-55-8
Molecular Formula:
C14H23N3O2
Molecular Weight:
265.3513
MDL Number:
MFCD30012448
IUPAC Name:
tert-butyl (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxylate
InChI:
InChI=1S/C14H23N3O2/c1-9-10(8-16-17(9)5)11-6-15-7-12(11)13(18)19-14(2,3)4/h8,11-12,15H,6-7H2,1-5H3/t11-,12+/m0/s1
InChI Key:
ANSXENIQCWFTMP-NWDGAFQWSA-N
SMILES:
O=C([C@@H]1CNC[C@H]1c1cnn(c1C)C)OC(C)(C)C
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
265.179g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.357g/mol
Monoisotopic Mass:
265.179g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties