Home Other Building Blocks 5-Isopropyl-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one

5-Isopropyl-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one

CAS No.:
83957-87-3
Catalog Number:
AG01DLR6
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
90%
1 week
United States
$316
- +
Product Description
Catalog Number:
AG01DLR6
Chemical Name:
5-Isopropyl-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one
CAS Number:
83957-87-3
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD30185875
IUPAC Name:
1-methyl-2-phenyl-5-propan-2-ylpyrazol-3-one
InChI:
InChI=1S/C13H16N2O/c1-10(2)12-9-13(16)15(14(12)3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key:
IHSLNOJDOWAKIH-UHFFFAOYSA-N
SMILES:
CC(c1cc(=O)n(n1C)c1ccccc1)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties