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

C22H17Cl2N3O3 — CID 19403152

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

5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19403152) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• PubChem CID: 19403152
• Molecular Formula: C22H17Cl2N3O3
• Molecular Weight: 442.30 g/mol
• Exact Mass: 441.06
• IUPAC Name: 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(COc2ccc(Cl)cc2)o1
• InChI: InChI=1S/C22H17Cl2N3O3/c23-16-4-6-18(7-5-16)29-14-19-8-9-20(30-19)22(28)25-21-10-11-27(26-21)13-15-2-1-3-17(24)12-15/h1-12H,13-14H2,(H,25,26,28)
• InChIKey: FJXJECSTQXIRGH-UHFFFAOYSA-N
• XLogP: 5.66
• 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	442.30
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19403152) is 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(COc2ccc(Cl)cc2)o1.

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

The InChIKey is FJXJECSTQXIRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-16-4-6-18(7-5-16)29-14-19-8-9-20(30-19)22(28)25-21-10-11-27(26-21)13-15-2-1-3-17(24)12-15/h1-12H,13-14H2,(H,25,26,28).

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

5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 442.30 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19403152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).