bis(2-pyrazol-1-ylphenyl)mercury

C18H14HgN4 — CID 13203473

IUPACbis(2-pyrazol-1-ylphenyl)mercury
SMILESc1ccc(-n2cccn2)c([Hg]c2ccccc2-n2cccn2)c1
InChIInChI=1S/2C9H7N2.Hg/c2*1-2-5-9(6-3-1)11-8-4-7-10-11;/h2*1-5,7-8H;
InChIKeySQEXDXPZFIMUGM-UHFFFAOYSA-N
MW486.93 g/mol
LogP2.09
Rot. Bonds4

About bis(2-pyrazol-1-ylphenyl)mercury

bis(2-pyrazol-1-ylphenyl)mercury (PubChem CID 13203473) has the molecular formula C18H14HgN4 and a molecular weight of 486.93 g/mol. Its IUPAC name is bis(2-pyrazol-1-ylphenyl)mercury.

Molecular Properties

Compound Namebis(2-pyrazol-1-ylphenyl)mercury
PubChem CID13203473
Molecular FormulaC18H14HgN4
Molecular Weight486.93 g/mol
Exact Mass488.09
IUPAC Namebis(2-pyrazol-1-ylphenyl)mercury
SMILESc1ccc(-n2cccn2)c([Hg]c2ccccc2-n2cccn2)c1
InChIInChI=1S/2C9H7N2.Hg/c2*1-2-5-9(6-3-1)11-8-4-7-10-11;/h2*1-5,7-8H;
InChIKeySQEXDXPZFIMUGM-UHFFFAOYSA-N
XLogP2.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-Phenylpyrazole
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4-Bromo-1-phenyl-1H-pyrazole
CID 786811
3-methyl-1-phenyl-1H-pyrazole
CID 70783
2-(1H-pyrazol-1-yl)aniline
CID 2779710
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184

Frequently Asked Questions

What is the IUPAC name of bis(2-pyrazol-1-ylphenyl)mercury?
The IUPAC name of bis(2-pyrazol-1-ylphenyl)mercury (CID 13203473) is bis(2-pyrazol-1-ylphenyl)mercury.
What is the SMILES notation for bis(2-pyrazol-1-ylphenyl)mercury?
The canonical SMILES for bis(2-pyrazol-1-ylphenyl)mercury is c1ccc(-n2cccn2)c([Hg]c2ccccc2-n2cccn2)c1.
What is the InChIKey of bis(2-pyrazol-1-ylphenyl)mercury?
The InChIKey is SQEXDXPZFIMUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N2.Hg/c2*1-2-5-9(6-3-1)11-8-4-7-10-11;/h2*1-5,7-8H;.
What are the key properties of bis(2-pyrazol-1-ylphenyl)mercury?
bis(2-pyrazol-1-ylphenyl)mercury has a molecular weight of 486.93 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyrazol-1-ylphenyl)mercury is sourced from PubChem (CID 13203473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).