Home Other Building Blocks 1-(1-tert-butyl-1H-pyrazol-5-yl)ethan-1-one

1-(1-tert-butyl-1H-pyrazol-5-yl)ethan-1-one

CAS No.:
1508689-54-0
Catalog Number:
AG01DVG9
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
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Product Description
Catalog Number:
AG01DVG9
Chemical Name:
1-(1-tert-butyl-1H-pyrazol-5-yl)ethan-1-one
CAS Number:
1508689-54-0
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD26679518
IUPAC Name:
1-(2-tert-butylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C9H14N2O/c1-7(12)8-5-6-10-11(8)9(2,3)4/h5-6H,1-4H3
InChI Key:
BFIWLESJJCZTKT-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccnn1C(C)(C)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties