4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide

C21H25N3O2S — CID 19483724

About 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide

4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 19483724) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide
• PubChem CID: 19483724
• Molecular Formula: C21H25N3O2S
• Molecular Weight: 383.52 g/mol
• Exact Mass: 383.17
• IUPAC Name: 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide
• SMILES: CCCn1nc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)cc1C
• InChI: InChI=1S/C21H25N3O2S/c1-5-8-24-16(4)10-20(23-24)22-21(25)19-11-17(13-27-19)12-26-18-7-6-14(2)9-15(18)3/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,22,23,25)
• InChIKey: FBUKKDFRUONHHM-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.52
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide (CID 19483724) is 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide.

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

The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide is CCCn1nc(NC(=O)c2cc(COc3ccc(C)cc3C)cs2)cc1C.

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

The InChIKey is FBUKKDFRUONHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-5-8-24-16(4)10-20(23-24)22-21(25)19-11-17(13-27-19)12-26-18-7-6-14(2)9-15(18)3/h6-7,9-11,13H,5,8,12H2,1-4H3,(H,22,23,25).

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

4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-dimethylphenoxy)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19483724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).