disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate

C50H44Ag2Cl2N12O8 — CID 139152816

IUPACdisilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate
SMILESCc1cc(Cn2ccc(-c3ccccn3)n2)cc(Cn2ccc(-c3ccccn3)n2)c1.Cc1cc(Cn2ccc(-c3ccccn3)n2)cc(Cn2ccc(-c3ccccn3)n2)c1.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C25H22N6.2Ag.2ClHO4/c2*1-19-14-20(17-30-12-8-24(28-30)22-6-2-4-10-26-22)16-21(15-19)18-31-13-9-25(29-31)23-7-3-5-11-27-23;;;2*2-1(3,4)5/h2*2-16H,17-18H2,1H3;;;2*(H,2,3,4,5)/q;;2*+1;;/p-2
InChIKeyQRYGGFOAUOPPCY-UHFFFAOYSA-L
MW1227.62 g/mol
LogP-0.30
Rot. Bonds12

About disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate

disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate (PubChem CID 139152816) has the molecular formula C50H44Ag2Cl2N12O8 and a molecular weight of 1227.62 g/mol. Its IUPAC name is disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate.

Molecular Properties

Compound Namedisilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate
PubChem CID139152816
Molecular FormulaC50H44Ag2Cl2N12O8
Molecular Weight1227.62 g/mol
Exact Mass1224.09
IUPAC Namedisilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate
SMILESCc1cc(Cn2ccc(-c3ccccn3)n2)cc(Cn2ccc(-c3ccccn3)n2)c1.Cc1cc(Cn2ccc(-c3ccccn3)n2)cc(Cn2ccc(-c3ccccn3)n2)c1.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C25H22N6.2Ag.2ClHO4/c2*1-19-14-20(17-30-12-8-24(28-30)22-6-2-4-10-26-22)16-21(15-19)18-31-13-9-25(29-31)23-7-3-5-11-27-23;;;2*2-1(3,4)5/h2*2-16H,17-18H2,1H3;;;2*(H,2,3,4,5)/q;;2*+1;;/p-2
InChIKeyQRYGGFOAUOPPCY-UHFFFAOYSA-L
XLogP-0.30
TPSA307.32 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.62
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
CID 139131684
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
2-(5-Methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510491
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729586
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729592
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729601
N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-ethyl-2,6-bis(4-ethyl-2-pyridinyl)pyridine;ruthenium(2+);isothiocyanate
CID 140701022
N,N-bis(4-pentylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;chlororuthenium(1+);4-ethyl-2,6-bis(4-ethyl-2-pyridinyl)pyridine
CID 140701036
Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454

Frequently Asked Questions

What is the IUPAC name of disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate?
The IUPAC name of disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate (CID 139152816) is disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate.
What is the SMILES notation for disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate?
The canonical SMILES for disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate is Cc1cc(Cn2ccc(-c3ccccn3)n2)cc(Cn2ccc(-c3ccccn3)n2)c1.Cc1cc(Cn2ccc(-c3ccccn3)n2)cc(Cn2ccc(-c3ccccn3)n2)c1.[Ag+].[Ag+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate?
The InChIKey is QRYGGFOAUOPPCY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H22N6.2Ag.2ClHO4/c2*1-19-14-20(17-30-12-8-24(28-30)22-6-2-4-10-26-22)16-21(15-19)18-31-13-9-25(29-31)23-7-3-5-11-27-23;;;2*2-1(3,4)5/h2*2-16H,17-18H2,1H3;;;2*(H,2,3,4,5)/q;;2*+1;;/p-2.
What are the key properties of disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate?
disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate has a molecular weight of 1227.62 g/mol, XLogP of -0.30, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2-[1-[[3-methyl-5-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diperchlorate is sourced from PubChem (CID 139152816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).