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

1-(1-cyclobutyl-1H-pyrazol-5-yl)ethan-1-one

CAS No.:
1551031-85-6
Catalog Number:
AG01C73O
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01C73O
Chemical Name:
1-(1-cyclobutyl-1H-pyrazol-5-yl)ethan-1-one
CAS Number:
1551031-85-6
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD28625505
IUPAC Name:
1-(2-cyclobutylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C9H12N2O/c1-7(12)9-5-6-10-11(9)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChI Key:
DWWZMJBJZVFICE-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccnn1C1CCC1
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/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