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

C16H19N3O3 — CID 97101165

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

1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide (PubChem CID 97101165) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 97101165
• Molecular Formula: C16H19N3O3
• Molecular Weight: 301.35 g/mol
• Exact Mass: 301.14
• IUPAC Name: 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide
• SMILES: CCOc1cc2c(cc1Cn1cc(C(N)=O)cn1)O[C@H](C)C2
• InChI: InChI=1S/C16H19N3O3/c1-3-21-14-5-11-4-10(2)22-15(11)6-12(14)8-19-9-13(7-18-19)16(17)20/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,20)/t10-/m1/s1
• InChIKey: VJYIUHHHRSXELS-SNVBAGLBSA-N
• XLogP: 1.75
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.35
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide (CID 97101165) is 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide.

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

The canonical SMILES for 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide is CCOc1cc2c(cc1Cn1cc(C(N)=O)cn1)O[C@H](C)C2.

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

The InChIKey is VJYIUHHHRSXELS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-21-14-5-11-4-10(2)22-15(11)6-12(14)8-19-9-13(7-18-19)16(17)20/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,20)/t10-/m1/s1.

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

1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97101165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).