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

C10H8BrClN4O — CID 681349

IUPAC4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClN4O/c1-5-9(10(17)16-13-5)15-14-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,16,17)/b15-14+
InChIKeyKVELEOAYXWGCEU-CCEZHUSRSA-N
MW315.56 g/mol
LogP3.84
Rot. Bonds2

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

4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 681349) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID681349
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1/N=N/c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClN4O/c1-5-9(10(17)16-13-5)15-14-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,16,17)/b15-14+
InChIKeyKVELEOAYXWGCEU-CCEZHUSRSA-N
XLogP3.84
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 53.84
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

4-[(2-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580840
4-[(4-Chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
CID 580841
3-methyl-1H-pyrazole-4,5-dione 4-[(4-bromophenyl)hydrazone]
CID 703806
4-[(3,5-Dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 968537
(4E)-4-[2-(4-bromo-3-chlorophenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3866278
(4E)-4-[(4-bromo-3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one
CID 5660325
2-[(E)-(4-Bromophenyl)diazenyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 71341725
N'-(4-bromo-2-chlorophenyl)acetohydrazide
CID 130702335
4-[(4-bromophenyl)diazenyl]-2-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 135672396
4-[(3-Chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 136324031
4-[(2,5-Dichlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 136324040
4-[(2-Bromophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 136324043

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 681349) is 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1/N=N/c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is KVELEOAYXWGCEU-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c1-5-9(10(17)16-13-5)15-14-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,16,17)/b15-14+.
What are the key properties of 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 315.56 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-chlorophenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 681349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).