Home Other Building Blocks 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one

1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one

CAS No.:
1007518-31-1
Catalog Number:
AG01A7TR
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG01A7TR
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one
CAS Number:
1007518-31-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD08700682
IUPAC Name:
1-(1-propan-2-ylpyrazol-4-yl)ethanone
InChI:
InChI=1S/C8H12N2O/c1-6(2)10-5-8(4-9-10)7(3)11/h4-6H,1-3H3
InChI Key:
BIWZOSZMTVEENZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnn(c1)C(C)C
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties