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

C28H33N3O4 — CID 93224496

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

(2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol (PubChem CID 93224496) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
• PubChem CID: 93224496
• Molecular Formula: C28H33N3O4
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.25
• IUPAC Name: (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
• SMILES: CCOC[C@H](O)CN(Cc1ccco1)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1
• InChI: InChI=1S/C28H33N3O4/c1-3-27-26(20-30(18-23(32)21-33-4-2)19-25-16-11-17-34-25)28(35-24-14-9-6-10-15-24)31(29-27)22-12-7-5-8-13-22/h5-17,23,32H,3-4,18-21H2,1-2H3/t23-/m1/s1
• InChIKey: DWRAXCRBBLJYDQ-HSZRJFAPSA-N
• XLogP: 5.22
• TPSA: 72.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol (CID 93224496) is (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol.

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

The canonical SMILES for (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol is CCOC[C@H](O)CN(Cc1ccco1)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1.

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

The InChIKey is DWRAXCRBBLJYDQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-3-27-26(20-30(18-23(32)21-33-4-2)19-25-16-11-17-34-25)28(35-24-14-9-6-10-15-24)31(29-27)22-12-7-5-8-13-22/h5-17,23,32H,3-4,18-21H2,1-2H3/t23-/m1/s1.

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

(2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 475.59 g/mol, XLogP of 5.22, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 93224496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).