magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide

C54H65BrMgMnN12O8Zn — CID 163570902

About magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide

magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide (PubChem CID 163570902) has the molecular formula C54H65BrMgMnN12O8Zn and a molecular weight of 1234.73 g/mol. Its IUPAC name is magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide.

Molecular Properties

• Compound Name: magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide
• PubChem CID: 163570902
• Molecular Formula: C54H65BrMgMnN12O8Zn
• Molecular Weight: 1234.73 g/mol
• Exact Mass: 1231.28
• IUPAC Name: magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide
• SMILES: CC(O)(c1ccncc1)c1ccn(C2CCCCO2)n1.CC(c1ccncc1)c1ccn[nH]1.O=C(c1ccncc1)c1ccn(C2CCCCO2)n1.O=[Mn]=O.OC(c1ccncc1)c1ccn(C2CCCCO2)n1.[Br-].[CH3-].[Mg+2].[Zn]
• InChI: InChI=1S/C15H19N3O2.C14H17N3O2.C14H15N3O2.C10H11N3.CH3.BrH.Mg.Mn.2O.Zn/c1-15(19,12-5-8-16-9-6-12)13-7-10-18(17-13)14-4-2-3-11-20-14;2*18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;1-8(10-4-7-12-13-10)9-2-5-11-6-3-9;;;;;;;/h5-10,14,19H,2-4,11H2,1H3;4-9,13-14,18H,1-3,10H2;4-9,13H,1-3,10H2;2-8H,1H3,(H,12,13);1H3;1H;;;;;/q;;;;-1;;+2;;;;/p-1
• InChIKey: NKHIINMWMOSOGX-UHFFFAOYSA-M
• XLogP: 5.29
• TPSA: 253.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1234.73
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide?

The IUPAC name of magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide (CID 163570902) is magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide.

What is the SMILES notation for magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide?

The canonical SMILES for magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide is CC(O)(c1ccncc1)c1ccn(C2CCCCO2)n1.CC(c1ccncc1)c1ccn[nH]1.O=C(c1ccncc1)c1ccn(C2CCCCO2)n1.O=[Mn]=O.OC(c1ccncc1)c1ccn(C2CCCCO2)n1.[Br-].[CH3-].[Mg+2].[Zn].

What is the InChIKey of magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide?

The InChIKey is NKHIINMWMOSOGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N3O2.C14H17N3O2.C14H15N3O2.C10H11N3.CH3.BrH.Mg.Mn.2O.Zn/c1-15(19,12-5-8-16-9-6-12)13-7-10-18(17-13)14-4-2-3-11-20-14;2*18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;1-8(10-4-7-12-13-10)9-2-5-11-6-3-9;;;;;;;/h5-10,14,19H,2-4,11H2,1H3;4-9,13-14,18H,1-3,10H2;4-9,13H,1-3,10H2;2-8H,1H3,(H,12,13);1H3;1H;;;;;/q;;;;-1;;+2;;;;/p-1.

What are the key properties of magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide?

magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide has a molecular weight of 1234.73 g/mol, XLogP of 5.29, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;dioxomanganese;1-[1-(oxan-2-yl)pyrazol-3-yl]-1-pyridin-4-ylethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanone;4-[1-(1H-pyrazol-5-yl)ethyl]pyridine;zinc;bromide is sourced from PubChem (CID 163570902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).