1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

C22H34N4O3 — CID 86884947

About 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 86884947) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
• PubChem CID: 86884947
• Molecular Formula: C22H34N4O3
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.26
• IUPAC Name: 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
• SMILES: COCCOc1ccc(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1
• InChI: InChI=1S/C22H34N4O3/c1-17(2)21-20(22(25(3)24-21)26-9-11-28-12-10-26)16-23-15-18-5-7-19(8-6-18)29-14-13-27-4/h5-8,17,23H,9-16H2,1-4H3
• InChIKey: UQESPKGHGBFLEJ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 60.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 86884947) is 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is COCCOc1ccc(CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1.

What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

The InChIKey is UQESPKGHGBFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-17(2)21-20(22(25(3)24-21)26-9-11-28-12-10-26)16-23-15-18-5-7-19(8-6-18)29-14-13-27-4/h5-8,17,23H,9-16H2,1-4H3.

What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 402.54 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86884947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).