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

2-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
1522082-11-6
Catalog Number:
AG01BCVJ
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
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Product Description
Catalog Number:
AG01BCVJ
Chemical Name:
2-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
1522082-11-6
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD23323458
IUPAC Name:
2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H15N3O3/c1-6-8(5-12-14(6)3)10-7(11(16)17)4-9(15)13(10)2/h5,7,10H,4H2,1-3H3,(H,16,17)
InChI Key:
SPYWSNQZZHKFOA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1c1cnn(c1C)C)C
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties