dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate

C42H46Cl2Cu2N8O10 — CID 139073226

IUPACdicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate
SMILESC[O-].C[O-].Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C10H10N2.2CH3O.2ClHO4.2Cu/c4*1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2;2*2-1(3,4)5;;/h4*2-7H,1H3,(H,11,12);2*1H3;2*(H,2,3,4,5);;/q;;;;2*-1;;;2*+2/p-2
InChIKeyWNJYYZQGRDKDNA-UHFFFAOYSA-L
MW1020.87 g/mol
LogP-2.02
Rot. Bonds4

About dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate

dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate (PubChem CID 139073226) has the molecular formula C42H46Cl2Cu2N8O10 and a molecular weight of 1020.87 g/mol. Its IUPAC name is dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate.

Molecular Properties

Compound Namedicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate
PubChem CID139073226
Molecular FormulaC42H46Cl2Cu2N8O10
Molecular Weight1020.87 g/mol
Exact Mass1018.13
IUPAC Namedicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate
SMILESC[O-].C[O-].Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C10H10N2.2CH3O.2ClHO4.2Cu/c4*1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2;2*2-1(3,4)5;;/h4*2-7H,1H3,(H,11,12);2*1H3;2*(H,2,3,4,5);;/q;;;;2*-1;;;2*+2/p-2
InChIKeyWNJYYZQGRDKDNA-UHFFFAOYSA-L
XLogP-2.02
TPSA345.32 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.87
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065798
CID 139065798
Di-mu-methanolato-kappa^4^O:O-bis[bis(3-methyl-5-phenyl-1H-pyrazole-kappaN^2^)(nitrato-kappaO)copper(II)]
CID 139083477
CID 139090023
CID 139090023
octakis(3,5-diphenyl-1H-pyrazol-2-ium);hydrogen sulfate;disulfate;trihydrate
CID 139195808
tetrasilver;octakis(4-benzyl-3,5-dimethyl-1H-pyrazole);disulfate
CID 168349338
bis(copper(1+));hexakis(3,5-diphenyl-1H-pyrazole);sulfate
CID 168349340
disilver;hexakis(3,5-diphenyl-1H-pyrazole);sulfate
CID 168349341
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[tris[4-[(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]phenyl]methyl]phenyl]diazene
CID 162786919
chloroplatinum;bis(copper(1+));bis(3,5-diphenyl-1H-pyrazole);tetrakis(3,5-diphenylpyrazol-1-ide)
CID 59146594
disilver;chloroplatinum;bis(3,5-diphenyl-1H-pyrazole);tetrakis(3,5-diphenylpyrazol-1-ide)
CID 59146595
chloroplatinum;3,5-diphenyl-1H-pyrazole;bis(3,5-diphenylpyrazol-1-ide)
CID 59146596

Frequently Asked Questions

What is the IUPAC name of dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate?
The IUPAC name of dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate (CID 139073226) is dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate.
What is the SMILES notation for dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate?
The canonical SMILES for dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate is C[O-].C[O-].Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.Cc1cc(-c2ccccc2)[nH]n1.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate?
The InChIKey is WNJYYZQGRDKDNA-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H10N2.2CH3O.2ClHO4.2Cu/c4*1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2;2*2-1(3,4)5;;/h4*2-7H,1H3,(H,11,12);2*1H3;2*(H,2,3,4,5);;/q;;;;2*-1;;;2*+2/p-2.
What are the key properties of dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate?
dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate has a molecular weight of 1020.87 g/mol, XLogP of -2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanolate;tetrakis(3-methyl-5-phenyl-1H-pyrazole);diperchlorate is sourced from PubChem (CID 139073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).