2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazol-3-one


Chemical Name: 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazol-3-one
CAS Number: 219138-24-6
Product Number: AG00BC1B(AGN-PC-0JK6YU)
Synonyms:
MDL No: MFCD03452698
Molecular Formula: C20H13ClFN3O
Molecular Weight: 365.7881

Identification/Properties


Computed Properties
Molecular Weight:
365.792g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
365.073g/mol
Monoisotopic Mass:
365.073g/mol
Topological Polar Surface Area:
45.2A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
547
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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