5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide

C19H18BrN3O5 — CID 19465732

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 19465732) has the molecular formula C19H18BrN3O5 and a molecular weight of 448.27 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
• PubChem CID: 19465732
• Molecular Formula: C19H18BrN3O5
• Molecular Weight: 448.27 g/mol
• Exact Mass: 447.04
• IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
• SMILES: CCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1
• InChI: InChI=1S/C19H18BrN3O5/c1-2-23-15(14(20)8-22-23)9-21-19(24)17-6-4-13(28-17)10-25-12-3-5-16-18(7-12)27-11-26-16/h3-8H,2,9-11H2,1H3,(H,21,24)
• InChIKey: QSDVTKVEXRCMBR-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 87.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.27
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide (CID 19465732) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide is CCn1ncc(Br)c1CNC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1.

What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?

The InChIKey is QSDVTKVEXRCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O5/c1-2-23-15(14(20)8-22-23)9-21-19(24)17-6-4-13(28-17)10-25-12-3-5-16-18(7-12)27-11-26-16/h3-8H,2,9-11H2,1H3,(H,21,24).

What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?

5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 448.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19465732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).