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

C23H19Cl2N3O3 — CID 19467344

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

N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19467344) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19467344
• Molecular Formula: C23H19Cl2N3O3
• Molecular Weight: 456.33 g/mol
• Exact Mass: 455.08
• IUPAC Name: N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cccc(OCc2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4)cc3Cl)o2)c1
• InChI: InChI=1S/C23H19Cl2N3O3/c1-15-3-2-4-18(11-15)30-14-19-9-10-21(31-19)23(29)26-22-20(25)13-28(27-22)12-16-5-7-17(24)8-6-16/h2-11,13H,12,14H2,1H3,(H,26,27,29)
• InChIKey: QAASLOQBTFIZNE-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.33
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (CID 19467344) is N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4)cc3Cl)o2)c1.

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

The InChIKey is QAASLOQBTFIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c1-15-3-2-4-18(11-15)30-14-19-9-10-21(31-19)23(29)26-22-20(25)13-28(27-22)12-16-5-7-17(24)8-6-16/h2-11,13H,12,14H2,1H3,(H,26,27,29).

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

N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).