5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide

C18H14N4O5 — CID 19465733

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide (PubChem CID 19465733) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
• PubChem CID: 19465733
• Molecular Formula: C18H14N4O5
• Molecular Weight: 366.33 g/mol
• Exact Mass: 366.10
• IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide
• SMILES: Cn1ncc(C#N)c1NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1
• InChI: InChI=1S/C18H14N4O5/c1-22-17(11(7-19)8-20-22)21-18(23)15-5-3-13(27-15)9-24-12-2-4-14-16(6-12)26-10-25-14/h2-6,8H,9-10H2,1H3,(H,21,23)
• InChIKey: IBZZLFMXDDJNRP-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 111.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.33
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide?

The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide (CID 19465733) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide?

The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide is Cn1ncc(C#N)c1NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1.

What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide?

The InChIKey is IBZZLFMXDDJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c1-22-17(11(7-19)8-20-22)21-18(23)15-5-3-13(27-15)9-24-12-2-4-14-16(6-12)26-10-25-14/h2-6,8H,9-10H2,1H3,(H,21,23).

What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide?

5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide has a molecular weight of 366.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-cyano-1-methylpyrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 19465733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).