Home Nitriles rac-(2R,3R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonitrile, trans

rac-(2R,3R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonitrile, trans

CAS No.:
2059909-61-2
Catalog Number:
AG01BR3Q
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
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Product Description
Catalog Number:
AG01BR3Q
Chemical Name:
rac-(2R,3R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonitrile, trans
CAS Number:
2059909-61-2
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
MDL Number:
MFCD28145203
IUPAC Name:
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C13H18N4O2/c1-9-11(8-15-16(9)2)13-10(7-14)6-12(18)17(13)4-5-19-3/h8,10,13H,4-6H2,1-3H3/t10-,13+/m1/s1
InChI Key:
YGMVROKUQGOPIC-MFKMUULPSA-N
SMILES:
COCCN1C(=O)C[C@@H]([C@H]1c1cnn(c1C)C)C#N
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties