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

C27H31N3O4 — CID 93219965

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

(2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 93219965) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is (2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
• PubChem CID: 93219965
• Molecular Formula: C27H31N3O4
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.23
• IUPAC Name: (2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
• SMILES: CCOC[C@H](O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1
• InChI: InChI=1S/C27H31N3O4/c1-3-32-20-22(31)17-30(18-24-15-10-16-33-24)19-25-26(21-11-6-4-7-12-21)28-29(2)27(25)34-23-13-8-5-9-14-23/h4-16,22,31H,3,17-20H2,1-2H3/t22-/m1/s1
• InChIKey: HJJFZBBRUZNOSE-JOCHJYFZSA-N
• XLogP: 4.87
• TPSA: 72.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol (CID 93219965) is (2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol.

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

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

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

The InChIKey is HJJFZBBRUZNOSE-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-3-32-20-22(31)17-30(18-24-15-10-16-33-24)19-25-26(21-11-6-4-7-12-21)28-29(2)27(25)34-23-13-8-5-9-14-23/h4-16,22,31H,3,17-20H2,1-2H3/t22-/m1/s1.

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

(2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 461.56 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 93219965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).