4-bromo-5-phenyl-1H-pyrazole-3-diazonium

C9H6BrN4+ — CID 12638892

IUPAC4-bromo-5-phenyl-1H-pyrazole-3-diazonium
SMILESN#[N+]c1n[nH]c(-c2ccccc2)c1Br
InChIInChI=1S/C9H6BrN4/c10-7-8(13-14-9(7)12-11)6-4-2-1-3-5-6/h1-5H,(H,13,14)/q+1
InChIKeyOOINECWPJCSYDX-UHFFFAOYSA-N
MW250.08 g/mol
LogP3.32
Rot. Bonds1

About 4-bromo-5-phenyl-1H-pyrazole-3-diazonium

4-bromo-5-phenyl-1H-pyrazole-3-diazonium (PubChem CID 12638892) has the molecular formula C9H6BrN4+ and a molecular weight of 250.08 g/mol. Its IUPAC name is 4-bromo-5-phenyl-1H-pyrazole-3-diazonium.

Molecular Properties

Compound Name4-bromo-5-phenyl-1H-pyrazole-3-diazonium
PubChem CID12638892
Molecular FormulaC9H6BrN4+
Molecular Weight250.08 g/mol
Exact Mass248.98
IUPAC Name4-bromo-5-phenyl-1H-pyrazole-3-diazonium
SMILESN#[N+]c1n[nH]c(-c2ccccc2)c1Br
InChIInChI=1S/C9H6BrN4/c10-7-8(13-14-9(7)12-11)6-4-2-1-3-5-6/h1-5H,(H,13,14)/q+1
InChIKeyOOINECWPJCSYDX-UHFFFAOYSA-N
XLogP3.32
TPSA56.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazole
CID 54460716
5-phenyl-1H-pyrazole-3,4-diamine
CID 12887461
5-bromo-3-phenyl-2H-pyrazolo[3,4-c]pyridazine
CID 91867873
3-amino-5-phenyl-1H-pyrazole-4-carbaldehyde
CID 15687152
3-[3-(4-cyano-5-phenyl-1H-pyrazol-3-yl)phenyl]-5-phenyl-1H-pyrazole-4-carbonitrile
CID 118532822
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
2-bromo-3-iodo-1,4-diphenylbenzene
CID 167285519
4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
CID 102040642
5-bromo-2,6-diphenyl-1H-pyrimidine-4-thione
CID 106478906
6-amino-4-(2-bromophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3569451
amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid
CID 175320045
5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate
CID 110272737

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-phenyl-1H-pyrazole-3-diazonium?
The IUPAC name of 4-bromo-5-phenyl-1H-pyrazole-3-diazonium (CID 12638892) is 4-bromo-5-phenyl-1H-pyrazole-3-diazonium.
What is the SMILES notation for 4-bromo-5-phenyl-1H-pyrazole-3-diazonium?
The canonical SMILES for 4-bromo-5-phenyl-1H-pyrazole-3-diazonium is N#[N+]c1n[nH]c(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-5-phenyl-1H-pyrazole-3-diazonium?
The InChIKey is OOINECWPJCSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN4/c10-7-8(13-14-9(7)12-11)6-4-2-1-3-5-6/h1-5H,(H,13,14)/q+1.
What are the key properties of 4-bromo-5-phenyl-1H-pyrazole-3-diazonium?
4-bromo-5-phenyl-1H-pyrazole-3-diazonium has a molecular weight of 250.08 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-phenyl-1H-pyrazole-3-diazonium is sourced from PubChem (CID 12638892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).