1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol

C29H35N3O4 — CID 42843177

About 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol (PubChem CID 42843177) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol
• PubChem CID: 42843177
• Molecular Formula: C29H35N3O4
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.26
• IUPAC Name: 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol
• SMILES: CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(O)COCc1ccco1
• InChI: InChI=1S/C29H35N3O4/c1-4-15-31(18-25(33)20-34-21-27-14-9-16-35-27)19-28-23(3)30-32(24-11-6-5-7-12-24)29(28)36-26-13-8-10-22(2)17-26/h5-14,16-17,25,33H,4,15,18-21H2,1-3H3
• InChIKey: SWIZOQHEZLCKPX-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 72.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol?

The IUPAC name of 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol (CID 42843177) is 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol.

What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol?

The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol is CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(O)COCc1ccco1.

What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol?

The InChIKey is SWIZOQHEZLCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-4-15-31(18-25(33)20-34-21-27-14-9-16-35-27)19-28-23(3)30-32(24-11-6-5-7-12-24)29(28)36-26-13-8-10-22(2)17-26/h5-14,16-17,25,33H,4,15,18-21H2,1-3H3.

What are the key properties of 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol?

1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol has a molecular weight of 489.62 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethoxy)-3-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol is sourced from PubChem (CID 42843177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).