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

C24H22ClN3O3 — CID 19284024

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

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19284024) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19284024
• Molecular Formula: C24H22ClN3O3
• Molecular Weight: 435.91 g/mol
• Exact Mass: 435.13
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)o1
• InChI: InChI=1S/C24H22ClN3O3/c1-16-5-3-4-6-21(16)30-15-20-11-12-22(31-20)24(29)26-23-13-17(2)28(27-23)14-18-7-9-19(25)10-8-18/h3-13H,14-15H2,1-2H3,(H,26,27,29)
• InChIKey: MSGHGDUCCYQXGP-UHFFFAOYSA-N
• XLogP: 5.63
• 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	435.91
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 19284024) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)o1.

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

The InChIKey is MSGHGDUCCYQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16-5-3-4-6-21(16)30-15-20-11-12-22(31-20)24(29)26-23-13-17(2)28(27-23)14-18-7-9-19(25)10-8-18/h3-13H,14-15H2,1-2H3,(H,26,27,29).

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

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).