N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide

C25H23Cl2N3O3 — CID 19337176

About N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19337176) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19337176
• Molecular Formula: C25H23Cl2N3O3
• Molecular Weight: 484.38 g/mol
• Exact Mass: 483.11
• IUPAC Name: N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cc(C)cc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4Cl)n3)o2)c1
• InChI: InChI=1S/C25H23Cl2N3O3/c1-15-8-16(2)10-21(9-15)32-14-20-6-7-23(33-20)25(31)28-24-11-17(3)30(29-24)13-18-4-5-19(26)12-22(18)27/h4-12H,13-14H2,1-3H3,(H,28,29,31)
• InChIKey: GANWVMGQWPYDIJ-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.38
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19337176) is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4Cl)n3)o2)c1.

What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is GANWVMGQWPYDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-15-8-16(2)10-21(9-15)32-14-20-6-7-23(33-20)25(31)28-24-11-17(3)30(29-24)13-18-4-5-19(26)12-22(18)27/h4-12H,13-14H2,1-3H3,(H,28,29,31).

What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19337176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).