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

C9H8FN5O — CID 135431538

IUPAC5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H8FN5O/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-15-9(7)16/h1-4H,(H4,11,14,15,16)/b13-12+
InChIKeySUKROSFHSYJIFW-OUKQBFOZSA-N
MW221.20 g/mol
LogP1.84
Rot. Bonds2

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

5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 135431538) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID135431538
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H8FN5O/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-15-9(7)16/h1-4H,(H4,11,14,15,16)/b13-12+
InChIKeySUKROSFHSYJIFW-OUKQBFOZSA-N
XLogP1.84
TPSA99.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.84
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-[(2-Fluorophenyl)hydrazinylidene]-5-imino-1-phenylpyrazolidin-3-one
CID 135490307
4-[(4-fluorophenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 703801
3-Amino-5-hydroxy-4-phenylazopyrazole
CID 246770
2-Fluoroacetic acid 2-phenylhydrazide
CID 16862
5-amino-4-[(3-chlorophenyl)diazenyl]-1,2-dihydro-3H-pyrazol-3-one
CID 1500675
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
CID 162739706
N'-(3-fluorophenyl)propanehydrazide
CID 131132295
(4-Fluoroanilino)urea
CID 3791691
N'~1~-Phenylethanedihydrazide
CID 307854
N'-(4-Fluorophenyl)acetohydrazide
CID 580938
2-Oxo-2-(2-phenylhydrazinyl)acetamide
CID 347791

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 135431538) is 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one is Nc1[nH][nH]c(=O)c1/N=N/c1ccccc1F.
What is the InChIKey of 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is SUKROSFHSYJIFW-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H8FN5O/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-15-9(7)16/h1-4H,(H4,11,14,15,16)/b13-12+.
What are the key properties of 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one?
5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 221.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2-fluorophenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135431538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).