azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate

C14H26Br2Cu2N5O5- — CID 5231895

IUPACazanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate
SMILESBr[Cu]Br.COC(OC)c1ccn(CCn2ccc(C(OC)OC)n2)n1.O.[Cu].[NH2-]
InChIInChI=1S/C14H22N4O4.2BrH.2Cu.H2N.H2O/c1-19-13(20-2)11-5-7-17(15-11)9-10-18-8-6-12(16-18)14(21-3)22-4;;;;;;/h5-8,13-14H,9-10H2,1-4H3;2*1H;;;2*1H2/q;;;;+2;-1;/p-2
InChIKeyJDEQWAZUWJLQON-UHFFFAOYSA-L
MW631.29 g/mol
LogP2.94
Rot. Bonds9

About azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate

azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate (PubChem CID 5231895) has the molecular formula C14H26Br2Cu2N5O5- and a molecular weight of 631.29 g/mol. Its IUPAC name is azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate.

Molecular Properties

Compound Nameazanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate
PubChem CID5231895
Molecular FormulaC14H26Br2Cu2N5O5-
Molecular Weight631.29 g/mol
Exact Mass627.89
IUPAC Nameazanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate
SMILESBr[Cu]Br.COC(OC)c1ccn(CCn2ccc(C(OC)OC)n2)n1.O.[Cu].[NH2-]
InChIInChI=1S/C14H22N4O4.2BrH.2Cu.H2N.H2O/c1-19-13(20-2)11-5-7-17(15-11)9-10-18-8-6-12(16-18)14(21-3)22-4;;;;;;/h5-8,13-14H,9-10H2,1-4H3;2*1H;;;2*1H2/q;;;;+2;-1;/p-2
InChIKeyJDEQWAZUWJLQON-UHFFFAOYSA-L
XLogP2.94
TPSA137.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate?
The IUPAC name of azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate (CID 5231895) is azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate.
What is the SMILES notation for azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate?
The canonical SMILES for azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate is Br[Cu]Br.COC(OC)c1ccn(CCn2ccc(C(OC)OC)n2)n1.O.[Cu].[NH2-].
What is the InChIKey of azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate?
The InChIKey is JDEQWAZUWJLQON-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H22N4O4.2BrH.2Cu.H2N.H2O/c1-19-13(20-2)11-5-7-17(15-11)9-10-18-8-6-12(16-18)14(21-3)22-4;;;;;;/h5-8,13-14H,9-10H2,1-4H3;2*1H;;;2*1H2/q;;;;+2;-1;/p-2.
What are the key properties of azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate?
azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate has a molecular weight of 631.29 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;copper;dibromocopper;3-(dimethoxymethyl)-1-[2-[3-(dimethoxymethyl)pyrazol-1-yl]ethyl]pyrazole;hydrate is sourced from PubChem (CID 5231895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).