(Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine

C15H15BrN6O — CID 9244975

About (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine

(Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine (PubChem CID 9244975) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine.

Molecular Properties

• Compound Name: (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine
• PubChem CID: 9244975
• Molecular Formula: C15H15BrN6O
• Molecular Weight: 375.23 g/mol
• Exact Mass: 374.05
• IUPAC Name: (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine
• SMILES: COc1ccc(/C=N\n2cnnc2-n2nc(C)cc2C)cc1Br
• InChI: InChI=1S/C15H15BrN6O/c1-10-6-11(2)22(20-10)15-19-17-9-21(15)18-8-12-4-5-14(23-3)13(16)7-12/h4-9H,1-3H3/b18-8-
• InChIKey: HRBUHFKXALXODX-LSCVHKIXSA-N
• XLogP: 2.73
• TPSA: 70.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.23
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine?

The IUPAC name of (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine (CID 9244975) is (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine.

What is the SMILES notation for (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine?

The canonical SMILES for (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine is COc1ccc(/C=N\n2cnnc2-n2nc(C)cc2C)cc1Br.

What is the InChIKey of (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine?

The InChIKey is HRBUHFKXALXODX-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H15BrN6O/c1-10-6-11(2)22(20-10)15-19-17-9-21(15)18-8-12-4-5-14(23-3)13(16)7-12/h4-9H,1-3H3/b18-8-.

What are the key properties of (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine?

(Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine has a molecular weight of 375.23 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine is sourced from PubChem (CID 9244975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).