Home Other Building Blocks 1-methyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide, trans

1-methyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide, trans

CAS No.:
1820569-87-6
Catalog Number:
AG01BGWE
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.2438
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Product Description
Catalog Number:
AG01BGWE
Chemical Name:
1-methyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide, trans
CAS Number:
1820569-87-6
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.2438
MDL Number:
MFCD28657005
IUPAC Name:
(2R,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
InChI:
InChI=1S/C10H14N4O2/c1-13-5-6(4-12-13)9-7(10(11)16)3-8(15)14(9)2/h4-5,7,9H,3H2,1-2H3,(H2,11,16)/t7-,9+/m1/s1
InChI Key:
JINYHLAHFIEVAT-APPZFPTMSA-N
SMILES:
NC(=O)[C@@H]1CC(=O)N([C@H]1c1cnn(c1)C)C
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
222.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.248g/mol
Monoisotopic Mass:
222.112g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties