N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide

C22H23N3O3 — CID 9401671

About N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9401671) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide
• PubChem CID: 9401671
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1cnn(-c3ccccc3)c1)O[C@H](C)C2
• InChI: InChI=1S/C22H23N3O3/c1-3-27-20-10-16-9-15(2)28-21(16)11-17(20)12-23-22(26)18-13-24-25(14-18)19-7-5-4-6-8-19/h4-8,10-11,13-15H,3,9,12H2,1-2H3,(H,23,26)/t15-/m1/s1
• InChIKey: LLZYUJRKHLWGJP-OAHLLOKOSA-N
• XLogP: 3.52
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide (CID 9401671) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide is CCOc1cc2c(cc1CNC(=O)c1cnn(-c3ccccc3)c1)O[C@H](C)C2.

What is the InChIKey of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide?

The InChIKey is LLZYUJRKHLWGJP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-27-20-10-16-9-15(2)28-21(16)11-17(20)12-23-22(26)18-13-24-25(14-18)19-7-5-4-6-8-19/h4-8,10-11,13-15H,3,9,12H2,1-2H3,(H,23,26)/t15-/m1/s1.

What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide?

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9401671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).