1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol

C28H38N4O4 — CID 46026306

About 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 46026306) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 46026306
• Molecular Formula: C28H38N4O4
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.29
• IUPAC Name: 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
• SMILES: COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC(O)CN1CCOCC1
• InChI: InChI=1S/C28H38N4O4/c1-22-8-7-11-25(18-22)36-28-26(27(29-30(28)2)23-9-5-4-6-10-23)21-32(12-15-34-3)20-24(33)19-31-13-16-35-17-14-31/h4-11,18,24,33H,12-17,19-21H2,1-3H3
• InChIKey: HXFHBUOIUTWELE-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 72.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

The IUPAC name of 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 46026306) is 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

The canonical SMILES for 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC(O)CN1CCOCC1.

What is the InChIKey of 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

The InChIKey is HXFHBUOIUTWELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-22-8-7-11-25(18-22)36-28-26(27(29-30(28)2)23-9-5-4-6-10-23)21-32(12-15-34-3)20-24(33)19-31-13-16-35-17-14-31/h4-11,18,24,33H,12-17,19-21H2,1-3H3.

What are the key properties of 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol?

1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 494.64 g/mol, XLogP of 3.33, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methoxyethyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 46026306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).