Home Other Building Blocks rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxamide, trans

rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxamide, trans

CAS No.:
2059915-21-6
Catalog Number:
AG01BRW9
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
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Product Description
Catalog Number:
AG01BRW9
Chemical Name:
rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-pyrazol-5-yl)-6-oxopiperidine-3-carboxamide, trans
CAS Number:
2059915-21-6
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
MDL Number:
MFCD30535921
IUPAC Name:
(2S,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidine-3-carboxamide
InChI:
InChI=1S/C13H18N4O2/c1-16-10(6-7-15-16)12-9(13(14)19)4-5-11(18)17(12)8-2-3-8/h6-9,12H,2-5H2,1H3,(H2,14,19)/t9-,12-/m0/s1
InChI Key:
NRXNFRRZFYGJPJ-CABZTGNLSA-N
SMILES:
NC(=O)[C@H]1CCC(=O)N([C@@H]1c1ccnn1C)C1CC1
Properties
Complexity:
396  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties