4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine

C24H25N7O — CID 156832171

About 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine (PubChem CID 156832171) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
• PubChem CID: 156832171
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine
• SMILES: Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(/C=C/c4ccnn4C)n3)n2)c1
• InChI: InChI=1S/C24H25N7O/c1-18-4-3-5-19(16-18)21-9-11-31(28-21)24-17-23(30-12-14-32-15-13-30)26-22(27-24)7-6-20-8-10-25-29(20)2/h3-11,16-17H,12-15H2,1-2H3/b7-6+
• InChIKey: UOJGFGVTGQHEBS-VOTSOKGWSA-N
• XLogP: 3.38
• TPSA: 73.89 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine (CID 156832171) is 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(/C=C/c4ccnn4C)n3)n2)c1.

What is the InChIKey of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?

The InChIKey is UOJGFGVTGQHEBS-VOTSOKGWSA-N. The full InChI is InChI=1S/C24H25N7O/c1-18-4-3-5-19(16-18)21-9-11-31(28-21)24-17-23(30-12-14-32-15-13-30)26-22(27-24)7-6-20-8-10-25-29(20)2/h3-11,16-17H,12-15H2,1-2H3/b7-6+.

What are the key properties of 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine?

4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine has a molecular weight of 427.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[3-(3-methylphenyl)pyrazol-1-yl]-2-[(E)-2-(2-methylpyrazol-3-yl)ethenyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).