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

C28H33N3O5 — CID 93219171

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

(2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol (PubChem CID 93219171) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
• PubChem CID: 93219171
• Molecular Formula: C28H33N3O5
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.24
• IUPAC Name: (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
• SMILES: CCOC[C@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1
• InChI: InChI=1S/C28H33N3O5/c1-4-34-20-22(32)17-31(18-25-11-8-16-35-25)19-26-27(21-9-6-5-7-10-21)29-30(2)28(26)36-24-14-12-23(33-3)13-15-24/h5-16,22,32H,4,17-20H2,1-3H3/t22-/m1/s1
• InChIKey: HSRTVMZPWNGIBV-JOCHJYFZSA-N
• XLogP: 4.88
• TPSA: 82.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol (CID 93219171) is (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol.

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

The canonical SMILES for (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol is CCOC[C@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1.

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

The InChIKey is HSRTVMZPWNGIBV-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-4-34-20-22(32)17-31(18-25-11-8-16-35-25)19-26-27(21-9-6-5-7-10-21)29-30(2)28(26)36-24-14-12-23(33-3)13-15-24/h5-16,22,32H,4,17-20H2,1-3H3/t22-/m1/s1.

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

(2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol has a molecular weight of 491.59 g/mol, XLogP of 4.88, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 93219171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).