magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide

C34H31Br3F2MgN8O4 — CID 164989232

About magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide

magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide (PubChem CID 164989232) has the molecular formula C34H31Br3F2MgN8O4 and a molecular weight of 917.69 g/mol. Its IUPAC name is magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide.

Molecular Properties

• Compound Name: magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide
• PubChem CID: 164989232
• Molecular Formula: C34H31Br3F2MgN8O4
• Molecular Weight: 917.69 g/mol
• Exact Mass: 913.98
• IUPAC Name: magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide
• SMILES: CCn1ncc(C(=O)c2ccnn2-c2ccc(F)cc2C(C)O)c1Br.CCn1ncc(C(=O)c2ccnn2-c2ccc(F)cc2C=O)c1Br.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C17H16BrFN4O2.C16H12BrFN4O2.CH3.BrH.Mg/c1-3-22-17(18)13(9-21-22)16(25)15-6-7-20-23(15)14-5-4-11(19)8-12(14)10(2)24;1-2-21-16(17)12(8-20-21)15(24)14-5-6-19-22(14)13-4-3-11(18)7-10(13)9-23;;;/h4-10,24H,3H2,1-2H3;3-9H,2H2,1H3;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: FUJQNXCEKAXTGH-UHFFFAOYSA-M
• XLogP: 3.38
• TPSA: 142.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.69
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide?

The IUPAC name of magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide (CID 164989232) is magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide.

What is the SMILES notation for magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide?

The canonical SMILES for magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide is CCn1ncc(C(=O)c2ccnn2-c2ccc(F)cc2C(C)O)c1Br.CCn1ncc(C(=O)c2ccnn2-c2ccc(F)cc2C=O)c1Br.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide?

The InChIKey is FUJQNXCEKAXTGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16BrFN4O2.C16H12BrFN4O2.CH3.BrH.Mg/c1-3-22-17(18)13(9-21-22)16(25)15-6-7-20-23(15)14-5-4-11(19)8-12(14)10(2)24;1-2-21-16(17)12(8-20-21)15(24)14-5-6-19-22(14)13-4-3-11(18)7-10(13)9-23;;;/h4-10,24H,3H2,1-2H3;3-9H,2H2,1H3;1H3;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide?

magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide has a molecular weight of 917.69 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide is sourced from PubChem (CID 164989232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).