Home Other Building Blocks 1-(1,3-Dimethyl-1H-pyrazol-5-yl)ethanone

1-(1,3-Dimethyl-1H-pyrazol-5-yl)ethanone

CAS No.:
87375-38-0
Catalog Number:
AG0036D1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
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Product Description
Catalog Number:
AG0036D1
Chemical Name:
1-(1,3-Dimethyl-1H-pyrazol-5-yl)ethanone
CAS Number:
87375-38-0
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD04969194
IUPAC Name:
1-(2,5-dimethylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C7H10N2O/c1-5-4-7(6(2)10)9(3)8-5/h4H,1-3H3
InChI Key:
GQDPHXPGTIMNQR-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C(=O)C)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
gamma-Hydroxyalkynyl ketones as useful scaffolds for the preparation of combinatorial libraries of furans, isoxazoles and pyrazoles. Journal of combinatorial chemistry 20040101
Properties