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

C22H17BrClN3O3 — CID 19338208

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

5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19338208) has the molecular formula C22H17BrClN3O3 and a molecular weight of 486.75 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19338208
• Molecular Formula: C22H17BrClN3O3
• Molecular Weight: 486.75 g/mol
• Exact Mass: 485.01
• IUPAC Name: 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc(COc2ccccc2Br)o1
• InChI: InChI=1S/C22H17BrClN3O3/c23-19-6-1-2-7-20(19)29-14-18-8-9-21(30-18)22(28)26-17-11-25-27(13-17)12-15-4-3-5-16(24)10-15/h1-11,13H,12,14H2,(H,26,28)
• InChIKey: NLVDMGZIEHTYKZ-UHFFFAOYSA-N
• XLogP: 5.77
• 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	486.75
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19338208) is 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc(COc2ccccc2Br)o1.

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

The InChIKey is NLVDMGZIEHTYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClN3O3/c23-19-6-1-2-7-20(19)29-14-18-8-9-21(30-18)22(28)26-17-11-25-27(13-17)12-15-4-3-5-16(24)10-15/h1-11,13H,12,14H2,(H,26,28).

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

5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 486.75 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19338208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).