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

C24H22FN3O2S — CID 19483604

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

4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 19483604) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 19483604
• Molecular Formula: C24H22FN3O2S
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.14
• IUPAC Name: 4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(OCc2csc(C(=O)Nc3ccn(Cc4ccccc4F)n3)c2)c(C)c1
• InChI: InChI=1S/C24H22FN3O2S/c1-16-7-8-21(17(2)11-16)30-14-18-12-22(31-15-18)24(29)26-23-9-10-28(27-23)13-19-5-3-4-6-20(19)25/h3-12,15H,13-14H2,1-2H3,(H,26,27,29)
• InChIKey: SUQSTYJHHQRAOQ-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 56.15 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	435.52
LogP ≤ 5	5.58
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-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 19483604) is 4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for 4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)Nc3ccn(Cc4ccccc4F)n3)c2)c(C)c1.

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

The InChIKey is SUQSTYJHHQRAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-16-7-8-21(17(2)11-16)30-14-18-12-22(31-15-18)24(29)26-23-9-10-28(27-23)13-19-5-3-4-6-20(19)25/h3-12,15H,13-14H2,1-2H3,(H,26,27,29).

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

4-[(2,4-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.58, 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-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19483604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).