4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one

C15H12FN3O — CID 103994916

IUPAC4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILESNc1c(-c2ccccc2)[nH]n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H12FN3O/c16-11-6-8-12(9-7-11)19-15(20)13(17)14(18-19)10-4-2-1-3-5-10/h1-9,18H,17H2
InChIKeyMYLSIXAHPUGKGR-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.55
Rot. Bonds2

About 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one

4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one (PubChem CID 103994916) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
PubChem CID103994916
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
SMILESNc1c(-c2ccccc2)[nH]n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H12FN3O/c16-11-6-8-12(9-7-11)19-15(20)13(17)14(18-19)10-4-2-1-3-5-10/h1-9,18H,17H2
InChIKeyMYLSIXAHPUGKGR-UHFFFAOYSA-N
XLogP2.55
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(3-chloro-4-methylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994908
4-amino-2-(2,4-dimethylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103995003
4-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728568
4-amino-2-[(3-fluorophenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 103995293
2-(4-fluorophenyl)-4-(C-methyl-N-pentylcarbonimidoyl)-5-phenyl-1H-pyrazol-3-one
CID 135728393
2-(4-fluorophenyl)-4-(C-methyl-N-pyridin-2-ylcarbonimidoyl)-5-phenyl-1H-pyrazol-3-one
CID 136755585
4-amino-2-(4-fluorophenyl)-1-methyl-5-phenylpyrazol-3-one
CID 43342169
4-amino-2-(4-fluorophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363132
2-(4-fluorophenyl)-4-methyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 54108542
5-amino-4-[(4-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 1494865
4-[N-[(2-chlorophenyl)methyl]-C-methylcarbonimidoyl]-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
CID 135728422
4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one
CID 139222390

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one (CID 103994916) is 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one is Nc1c(-c2ccccc2)[nH]n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one?
The InChIKey is MYLSIXAHPUGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-6-8-12(9-7-11)19-15(20)13(17)14(18-19)10-4-2-1-3-5-10/h1-9,18H,17H2.
What are the key properties of 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one?
4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one has a molecular weight of 269.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 103994916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).