copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate

C17H21CuN7O6 — CID 139153785

IUPACcopper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C17H21N5.Cu.2NO3/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;;2*2-1(3)4/h5-9H,10-11H2,1-4H3;;;/q;+2;2*-1
InChIKeyKGCMIYWJFFNRPD-UHFFFAOYSA-N
MW482.94 g/mol
LogP2.32
Rot. Bonds4

About copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate

copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate (PubChem CID 139153785) has the molecular formula C17H21CuN7O6 and a molecular weight of 482.94 g/mol. Its IUPAC name is copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate.

Molecular Properties

Compound Namecopper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate
PubChem CID139153785
Molecular FormulaC17H21CuN7O6
Molecular Weight482.94 g/mol
Exact Mass482.08
IUPAC Namecopper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate
SMILESCc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C17H21N5.Cu.2NO3/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;;2*2-1(3)4/h5-9H,10-11H2,1-4H3;;;/q;+2;2*-1
InChIKeyKGCMIYWJFFNRPD-UHFFFAOYSA-N
XLogP2.32
TPSA180.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)pyridine
CID 12975816
Dizinc;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetranitrate
CID 139041347
[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]copper(II)thiocyanate
CID 139057625
Lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate
CID 139162818
Cyanoiminomethylideneazanide;2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[6-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine;iron(2+)
CID 168336988
Copper;2,6-bis(pyrazol-1-ylmethyl)pyridine;azide;perchlorate
CID 168337378
Dicopper;bis(2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine);tetraazide
CID 168349024
3-[6-(4,5,6,7-Tetrahydrotriazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
CID 101577536
2,6-bis[(5-methyl-2H-pyrrol-2-id-1-yl)methyl]pyridine;iridium(3+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685631
(1S)-2,14-diaza-6,19-diazoniapentacyclo[10.6.1.02,6.08,19.014,18]nonadeca-3,5,8,10,12(19),15,17-heptaene;ethane
CID 90719957
Copper(1+);2-[fluoro-(6-methyl-2-pyridinyl)methyl]-6-pyrazol-2-id-3-ylpyridine
CID 140599607
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-6-(6-methyl-2-pyridinyl)pyridine
CID 101868527

Frequently Asked Questions

What is the IUPAC name of copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate?
The IUPAC name of copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate (CID 139153785) is copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate.
What is the SMILES notation for copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate?
The canonical SMILES for copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate is Cc1cc(C)n(Cc2cccc(Cn3nc(C)cc3C)n2)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate?
The InChIKey is KGCMIYWJFFNRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5.Cu.2NO3/c1-12-8-14(3)21(19-12)10-16-6-5-7-17(18-16)11-22-15(4)9-13(2)20-22;;2*2-1(3)4/h5-9H,10-11H2,1-4H3;;;/q;+2;2*-1.
What are the key properties of copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate?
copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate has a molecular weight of 482.94 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;dinitrate is sourced from PubChem (CID 139153785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).