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Home Other Building Blocks 3-phenyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one

3-phenyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one

CAS No.:
1250525-78-0
Catalog Number:
AG01BU10
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
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Product Description
Catalog Number:
AG01BU10
Chemical Name:
3-phenyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
1250525-78-0
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD14609251
IUPAC Name:
5-phenyl-2-propan-2-yl-4H-pyrazol-3-one
InChI:
InChI=1S/C12H14N2O/c1-9(2)14-12(15)8-11(13-14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
KDLINXKSDQSVBP-UHFFFAOYSA-N
SMILES:
CC(N1N=C(CC1=O)c1ccccc1)C
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties