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

C24H21Cl2N3O3 — CID 19337267

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

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19337267) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19337267
• Molecular Formula: C24H21Cl2N3O3
• Molecular Weight: 470.36 g/mol
• Exact Mass: 469.10
• IUPAC Name: N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)o1
• InChI: InChI=1S/C24H21Cl2N3O3/c1-15-5-3-4-6-21(15)31-14-19-9-10-22(32-19)24(30)27-23-11-16(2)29(28-23)13-17-7-8-18(25)12-20(17)26/h3-12H,13-14H2,1-2H3,(H,27,28,30)
• InChIKey: DPUFTNSCQMCMHZ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.36
LogP ≤ 5	6.28
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-[(2-methylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19337267) is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)o1.

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

The InChIKey is DPUFTNSCQMCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-15-5-3-4-6-21(15)31-14-19-9-10-22(32-19)24(30)27-23-11-16(2)29(28-23)13-17-7-8-18(25)12-20(17)26/h3-12H,13-14H2,1-2H3,(H,27,28,30).

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

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 6.28, 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-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19337267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).