5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

C22H17ClFN3O3 — CID 19336414

About 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19336414) has the molecular formula C22H17ClFN3O3 and a molecular weight of 425.85 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19336414
• Molecular Formula: C22H17ClFN3O3
• Molecular Weight: 425.85 g/mol
• Exact Mass: 425.09
• IUPAC Name: 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(COc2cccc(Cl)c2)o1
• InChI: InChI=1S/C22H17ClFN3O3/c23-16-4-2-6-19(10-16)29-14-20-7-8-21(30-20)22(28)26-18-11-25-27(13-18)12-15-3-1-5-17(24)9-15/h1-11,13H,12,14H2,(H,26,28)
• InChIKey: AELMNMXNQDHSDF-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.85
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19336414) is 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(COc2cccc(Cl)c2)o1.

What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is AELMNMXNQDHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3/c23-16-4-2-6-19(10-16)29-14-20-7-8-21(30-20)22(28)26-18-11-25-27(13-18)12-15-3-1-5-17(24)9-15/h1-11,13H,12,14H2,(H,26,28).

What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19336414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).