4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

C23H19Cl2N3O2S — CID 19486686

About 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide

4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 19486686) has the molecular formula C23H19Cl2N3O2S and a molecular weight of 472.40 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 19486686
• Molecular Formula: C23H19Cl2N3O2S
• Molecular Weight: 472.40 g/mol
• Exact Mass: 471.06
• IUPAC Name: 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: Cc1cc(Cl)ccc1OCc1csc(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)c1
• InChI: InChI=1S/C23H19Cl2N3O2S/c1-15-10-18(24)6-7-20(15)30-13-16-11-21(31-14-16)23(29)26-22-8-9-28(27-22)12-17-4-2-3-5-19(17)25/h2-11,14H,12-13H2,1H3,(H,26,27,29)
• InChIKey: RATPJMCQEUSGJB-UHFFFAOYSA-N
• XLogP: 6.44
• 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	472.40
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 19486686) is 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is Cc1cc(Cl)ccc1OCc1csc(C(=O)Nc2ccn(Cc3ccccc3Cl)n2)c1.

What is the InChIKey of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?

The InChIKey is RATPJMCQEUSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2S/c1-15-10-18(24)6-7-20(15)30-13-16-11-21(31-14-16)23(29)26-22-8-9-28(27-22)12-17-4-2-3-5-19(17)25/h2-11,14H,12-13H2,1H3,(H,26,27,29).

What are the key properties of 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?

4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 472.40 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19486686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).