1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol

C26H35N3O5 — CID 46026121

About 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol

1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol (PubChem CID 46026121) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
• PubChem CID: 46026121
• Molecular Formula: C26H35N3O5
• Molecular Weight: 469.58 g/mol
• Exact Mass: 469.26
• IUPAC Name: 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
• SMILES: CCOCC(O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1
• InChI: InChI=1S/C26H35N3O5/c1-5-33-19-21(30)17-29(14-15-31-3)18-24-25(20-10-7-6-8-11-20)27-28(2)26(24)34-23-13-9-12-22(16-23)32-4/h6-13,16,21,30H,5,14-15,17-19H2,1-4H3
• InChIKey: XXFIIDFVCFYITP-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 78.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.58
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

The IUPAC name of 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol (CID 46026121) is 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol.

What is the SMILES notation for 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

The canonical SMILES for 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol is CCOCC(O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1.

What is the InChIKey of 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

The InChIKey is XXFIIDFVCFYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-5-33-19-21(30)17-29(14-15-31-3)18-24-25(20-10-7-6-8-11-20)27-28(2)26(24)34-23-13-9-12-22(16-23)32-4/h6-13,16,21,30H,5,14-15,17-19H2,1-4H3.

What are the key properties of 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol?

1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol has a molecular weight of 469.58 g/mol, XLogP of 3.73, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethoxy-3-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 46026121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).