4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one

C10H9IN4O — CID 968539

IUPAC4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(I)cc1
InChIInChI=1S/C10H9IN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,15,16)/b14-13+
InChIKeyWOAYOEVERHLOGU-BUHFOSPRSA-N
MW328.11 g/mol
LogP3.03
Rot. Bonds2

About 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one

4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 968539) has the molecular formula C10H9IN4O and a molecular weight of 328.11 g/mol. Its IUPAC name is 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID968539
Molecular FormulaC10H9IN4O
Molecular Weight328.11 g/mol
Exact Mass327.98
IUPAC Name4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(I)cc1
InChIInChI=1S/C10H9IN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,15,16)/b14-13+
InChIKeyWOAYOEVERHLOGU-BUHFOSPRSA-N
XLogP3.03
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.03
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Acetylphenylhydrazine
CID 8247
N'(1),N'(2)-Diphenylethanedihydrazide
CID 221850
Propionic acid phenylhydrazide
CID 88671
4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580840
4-Phenylhydrazono-3-methyl-2-pyrazolin-5-one
CID 318025
4-[(4-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580841
Vegfr-2-IN-32
CID 135686834
Acetic acid, 2-(4-aminophenyl)hydrazide
CID 81068
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
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
CID 162739706

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 968539) is 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1/N=N/c1ccc(I)cc1.
What is the InChIKey of 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is WOAYOEVERHLOGU-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H9IN4O/c1-6-9(10(16)15-12-6)14-13-8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,15,16)/b14-13+.
What are the key properties of 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 328.11 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 968539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).