4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one

C11H11FN4O2 — CID 140692156

IUPAC4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1/N=N/c1cc(F)ccc1O
InChIInChI=1S/C11H11FN4O2/c1-6-10(11(18)16(2)15-6)14-13-8-5-7(12)3-4-9(8)17/h3-5,15,17H,1-2H3/b14-13+
InChIKeyPNAVTDWWHOOFSB-BUHFOSPRSA-N
MW250.23 g/mol
LogP2.28
Rot. Bonds2

About 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one

4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 140692156) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID140692156
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1/N=N/c1cc(F)ccc1O
InChIInChI=1S/C11H11FN4O2/c1-6-10(11(18)16(2)15-6)14-13-8-5-7(12)3-4-9(8)17/h3-5,15,17H,1-2H3/b14-13+
InChIKeyPNAVTDWWHOOFSB-BUHFOSPRSA-N
XLogP2.28
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 1494896
4-[(4-bromophenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 1492548
5-tert-butyl-4-[(2-hydroxy-5-nitrophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 135985786
4-[[4-[(4-butylphenyl)diazenyl]-2-methylphenyl]diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 135976122
3-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide;cobalt(2+)
CID 135602174
chromium(3+);4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-nitrophenolate
CID 170839863
3-[(2,4-difluorophenyl)diazenyl]-4-hydroxy-6-methylpyran-2-one
CID 135461174
azane;2-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-5-methyl-1H-pyrazol-3-one;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-methylsulfonylphenolate;chromium(3+)
CID 170854481
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610
2-[(2,5-difluorophenyl)diazenyl]-3-(4-methylphenyl)sulfinylbenzene-1,4-diol
CID 136732050
4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 135850889
sodium;cobalt;[4-hydroxy-3-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]sulfonylazanium;2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfamoylphenolate
CID 170845788

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one (CID 140692156) is 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1/N=N/c1cc(F)ccc1O.
What is the InChIKey of 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is PNAVTDWWHOOFSB-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-10(11(18)16(2)15-6)14-13-8-5-7(12)3-4-9(8)17/h3-5,15,17H,1-2H3/b14-13+.
What are the key properties of 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one?
4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 250.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-hydroxyphenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 140692156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).