Home Carboxys 1-tert-butyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-tert-butyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
1479954-34-1
Catalog Number:
AG01BH25
Molecular Formula:
C13H19N3O3
Molecular Weight:
265.3083
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Product Description
Catalog Number:
AG01BH25
Chemical Name:
1-tert-butyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
1479954-34-1
Molecular Formula:
C13H19N3O3
Molecular Weight:
265.3083
MDL Number:
MFCD19385622
IUPAC Name:
1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H19N3O3/c1-13(2,3)16-10(17)5-9(12(18)19)11(16)8-6-14-15(4)7-8/h6-7,9,11H,5H2,1-4H3,(H,18,19)
InChI Key:
YEHOWNNNRIBDQB-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1c1cnn(c1)C)C(C)(C)C
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.143g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.313g/mol
Monoisotopic Mass:
265.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties