4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one

C9H7FN4O2 — CID 162739706

IUPAC4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H7FN4O2/c10-5-3-1-2-4-6(5)11-12-7-8(15)13-14-9(7)16/h1-4H,(H3,13,14,15,16)/b12-11+
InChIKeyXONMIFGNGBMWQW-VAWYXSNFSA-N
MW222.18 g/mol
LogP1.96
Rot. Bonds2

About 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one

4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one (PubChem CID 162739706) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
PubChem CID162739706
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H7FN4O2/c10-5-3-1-2-4-6(5)11-12-7-8(15)13-14-9(7)16/h1-4H,(H3,13,14,15,16)/b12-11+
InChIKeyXONMIFGNGBMWQW-VAWYXSNFSA-N
XLogP1.96
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-Phenylhydrazono-3-methyl-2-pyrazolin-5-one
CID 318025
4-[(4-fluorophenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 703801
3-Amino-5-hydroxy-4-phenylazopyrazole
CID 246770
5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 135431538
5-Amino-4-[(2-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 162739681
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
CID 162739690
N'~1~-Phenylethanedihydrazide
CID 307854
4,5-Dihydro-3-(trifluoromethyl)pyrazole-4,5-dione 4-(3-fluorophenyl)hydrazone
CID 5003918
(4E)-4-[2-(2-fluorophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 830040
4-[(4-fluorophenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 2740053
5-Amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 3141337
2-(4-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
CID 90765355

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one (CID 162739706) is 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(O)c1/N=N/c1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one?
The InChIKey is XONMIFGNGBMWQW-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-5-3-1-2-4-6(5)11-12-7-8(15)13-14-9(7)16/h1-4H,(H3,13,14,15,16)/b12-11+.
What are the key properties of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one?
4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one has a molecular weight of 222.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 162739706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).