dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol

C42H30F2MnN6O4 — CID 162088150

About dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol

dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol (PubChem CID 162088150) has the molecular formula C42H30F2MnN6O4 and a molecular weight of 775.67 g/mol. Its IUPAC name is dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol.

Molecular Properties

• Compound Name: dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol
• PubChem CID: 162088150
• Molecular Formula: C42H30F2MnN6O4
• Molecular Weight: 775.67 g/mol
• Exact Mass: 775.17
• IUPAC Name: dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol
• SMILES: O=Cc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.O=[Mn]=O.OCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
• InChI: InChI=1S/C21H16FN3O.C21H14FN3O.Mn.2O/c2*22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15;;;/h1-13,26H,14H2;1-14H
• InChIKey: XFGDFRLGHQHHQE-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 132.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.67
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?

The IUPAC name of dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol (CID 162088150) is dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol.

What is the SMILES notation for dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?

The canonical SMILES for dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol is O=Cc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.O=[Mn]=O.OCc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.

What is the InChIKey of dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?

The InChIKey is XFGDFRLGHQHHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O.C21H14FN3O.Mn.2O/c2*22-19-9-5-4-8-18(19)21-16(14-26)12-24-25(21)17-10-11-20(23-13-17)15-6-2-1-3-7-15;;;/h1-13,26H,14H2;1-14H;;;.

What are the key properties of dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol?

dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol has a molecular weight of 775.67 g/mol, XLogP of 8.55, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dioxomanganese;5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carbaldehyde;[5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 162088150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).