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

C10H6F4N4O — CID 5003918

IUPAC4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(C(F)(F)F)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C10H6F4N4O/c11-5-2-1-3-6(4-5)15-16-7-8(10(12,13)14)17-18-9(7)19/h1-4H,(H2,17,18,19)/b16-15+
InChIKeyJJFSWXHKXZCKAS-FOCLMDBBSA-N
MW274.18 g/mol
LogP3.28
Rot. Bonds2

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

4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one (PubChem CID 5003918) has the molecular formula C10H6F4N4O and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
PubChem CID5003918
Molecular FormulaC10H6F4N4O
Molecular Weight274.18 g/mol
Exact Mass274.05
IUPAC Name4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(C(F)(F)F)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C10H6F4N4O/c11-5-2-1-3-6(4-5)15-16-7-8(10(12,13)14)17-18-9(7)19/h1-4H,(H2,17,18,19)/b16-15+
InChIKeyJJFSWXHKXZCKAS-FOCLMDBBSA-N
XLogP3.28
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,2,2-trifluoro-N'-phenylacetohydrazide
CID 36669
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
2,2,3,3,4,4,4-Heptafluoro-N'-phenylbutanehydrazide
CID 4073140
5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 135431538
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
CID 162739706
3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol
CID 2272701
4-[2-(3-Nitrophenyl)hydrazono]-5-(trifluoromethyl)-2H-pyrazole-3(4H)-one
CID 3516420
1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol
CID 17020060
5-amino-4-{[3-(trifluoromethyl)phenyl]diazenyl}-1,2-dihydro-3H-pyrazol-3-one
CID 135431536
(4E)-4-[2-(2-fluorophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 830040

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one (CID 5003918) is 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(C(F)(F)F)c1/N=N/c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is JJFSWXHKXZCKAS-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H6F4N4O/c11-5-2-1-3-6(4-5)15-16-7-8(10(12,13)14)17-18-9(7)19/h1-4H,(H2,17,18,19)/b16-15+.
What are the key properties of 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one?
4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 274.18 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)diazenyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 5003918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).