copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide

C36H26CuF4N8 — CID 139151633

IUPACcopper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide
SMILESFc1ccc(-c2cc[n-]n2)cc1.Fc1ccc(-c2ccn[n-]2)cc1.Fc1ccc(-c2ccn[nH]2)cc1.Fc1ccc(-c2ccn[nH]2)cc1.[Cu+2]
InChIInChI=1S/2C9H7FN2.2C9H6FN2.Cu/c4*10-8-3-1-7(2-4-8)9-5-6-11-12-9;/h2*1-6H,(H,11,12);2*1-6H;/q;;2*-1;+2
InChIKeyKBFGQJJFASEPTM-UHFFFAOYSA-N
MW710.20 g/mol
LogP8.12
Rot. Bonds4

About copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide

copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide (PubChem CID 139151633) has the molecular formula C36H26CuF4N8 and a molecular weight of 710.20 g/mol. Its IUPAC name is copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide.

Molecular Properties

Compound Namecopper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide
PubChem CID139151633
Molecular FormulaC36H26CuF4N8
Molecular Weight710.20 g/mol
Exact Mass709.15
IUPAC Namecopper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide
SMILESFc1ccc(-c2cc[n-]n2)cc1.Fc1ccc(-c2ccn[n-]2)cc1.Fc1ccc(-c2ccn[nH]2)cc1.Fc1ccc(-c2ccn[nH]2)cc1.[Cu+2]
InChIInChI=1S/2C9H7FN2.2C9H6FN2.Cu/c4*10-8-3-1-7(2-4-8)9-5-6-11-12-9;/h2*1-6H,(H,11,12);2*1-6H;/q;;2*-1;+2
InChIKeyKBFGQJJFASEPTM-UHFFFAOYSA-N
XLogP8.12
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.20
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tris(5-phenyl-1H-pyrazol-4-yl)borane
CID 53941433
1,1,2,2-Tetrakis(4-(1H-pyrazol-4-yl)phenyl)ethene
CID 156784078
iridium(3+);tris(5-[2-(trifluoromethyl)phenyl]-1H-pyrazole)
CID 175810812
1,2,4,5-Tetrakis(pyrazolyl-methyl)benzene
CID 138404280
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
1,5-Diphenyl-4,8-bis(3-phenylpyrazol-1-yl)pyrazabole
CID 139059623
CID 139065503
CID 139065503
CID 139065798
CID 139065798
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
3-(4-Fluorophenyl)-1H-pyrazole-5-(4-fluorophenyl)-1H-pyrazole (1/1)
CID 139086849
copper;5-phenyl-1H-pyrazole;tris(3-phenylpyrazol-1-yl)boranuide;isothiocyanate
CID 139131026

Frequently Asked Questions

What is the IUPAC name of copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide?
The IUPAC name of copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide (CID 139151633) is copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide.
What is the SMILES notation for copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide?
The canonical SMILES for copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide is Fc1ccc(-c2cc[n-]n2)cc1.Fc1ccc(-c2ccn[n-]2)cc1.Fc1ccc(-c2ccn[nH]2)cc1.Fc1ccc(-c2ccn[nH]2)cc1.[Cu+2].
What is the InChIKey of copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide?
The InChIKey is KBFGQJJFASEPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7FN2.2C9H6FN2.Cu/c4*10-8-3-1-7(2-4-8)9-5-6-11-12-9;/h2*1-6H,(H,11,12);2*1-6H;/q;;2*-1;+2.
What are the key properties of copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide?
copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide has a molecular weight of 710.20 g/mol, XLogP of 8.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(5-(4-fluorophenyl)-1H-pyrazole);3-(4-fluorophenyl)pyrazol-1-ide;3-(4-fluorophenyl)pyrazol-2-ide is sourced from PubChem (CID 139151633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).