copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide

C28H48Br2CuN8 — CID 139058362

IUPACcopper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
SMILESCC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.[Br-].[Br-].[Cu+2]
InChIInChI=1S/4C7H12N2.2BrH.Cu/c4*1-7(2,3)6-4-5-8-9-6;;;/h4*4-5H,1-3H3,(H,8,9);2*1H;/q;;;;;;+2/p-2
InChIKeyUOIARMPEYYSCHV-UHFFFAOYSA-L
MW720.10 g/mol
LogP0.83
Rot. Bonds

About copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide

copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide (PubChem CID 139058362) has the molecular formula C28H48Br2CuN8 and a molecular weight of 720.10 g/mol. Its IUPAC name is copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide.

Molecular Properties

Compound Namecopper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
PubChem CID139058362
Molecular FormulaC28H48Br2CuN8
Molecular Weight720.10 g/mol
Exact Mass717.17
IUPAC Namecopper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide
SMILESCC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.[Br-].[Br-].[Cu+2]
InChIInChI=1S/4C7H12N2.2BrH.Cu/c4*1-7(2,3)6-4-5-8-9-6;;;/h4*4-5H,1-3H3,(H,8,9);2*1H;/q;;;;;;+2/p-2
InChIKeyUOIARMPEYYSCHV-UHFFFAOYSA-L
XLogP0.83
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.10
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142631997
5-[bromo(difluoro)methyl]-1H-pyrazole
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5-[chloro(difluoro)methyl]-1H-pyrazole
CID 59403642
5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1H-pyrazole
CID 167703966
ethyl 2-methyl-2-(1H-pyrazol-5-yl)propanoate
CID 162439676
1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole
CID 158048203
telluroxodihydrodiazole
CID 139263061
5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazole
CID 10089388
2-tert-butyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10611161
CID 176945388
CID 176945388
4-tert-butyl-2-(1H-pyrazol-5-yl)pyridine
CID 15520583

Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide?
The IUPAC name of copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide (CID 139058362) is copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide.
What is the SMILES notation for copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide?
The canonical SMILES for copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide is CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.[Br-].[Br-].[Cu+2].
What is the InChIKey of copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide?
The InChIKey is UOIARMPEYYSCHV-UHFFFAOYSA-L. The full InChI is InChI=1S/4C7H12N2.2BrH.Cu/c4*1-7(2,3)6-4-5-8-9-6;;;/h4*4-5H,1-3H3,(H,8,9);2*1H;/q;;;;;;+2/p-2.
What are the key properties of copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide?
copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide has a molecular weight of 720.10 g/mol, XLogP of 0.83, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(5-tert-butyl-1H-pyrazole);dibromide is sourced from PubChem (CID 139058362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).