Home Aminos 5-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one, trifluoroacetic acid

5-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one, trifluoroacetic acid

CAS No.:
2137994-21-7
Catalog Number:
AG01EJQC
Molecular Formula:
C11H15F3N4O3
Molecular Weight:
308.2570
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Product Description
Catalog Number:
AG01EJQC
Chemical Name:
5-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one, trifluoroacetic acid
CAS Number:
2137994-21-7
Molecular Formula:
C11H15F3N4O3
Molecular Weight:
308.2570
MDL Number:
MFCD31558767
IUPAC Name:
5-amino-1-(1-methylpyrazol-4-yl)piperidin-2-one;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H14N4O.C2HF3O2/c1-12-6-8(4-11-12)13-5-7(10)2-3-9(13)14;3-2(4,5)1(6)7/h4,6-7H,2-3,5,10H2,1H3;(H,6,7)
InChI Key:
NMXUKEXSYBRTKA-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NC1CCC(=O)N(C1)c1cnn(c1)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.11g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.261g/mol
Monoisotopic Mass:
308.11g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties