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

C22H16Cl3N3O2S — CID 19503134

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

4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 19503134) has the molecular formula C22H16Cl3N3O2S and a molecular weight of 492.82 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 19503134
• Molecular Formula: C22H16Cl3N3O2S
• Molecular Weight: 492.82 g/mol
• Exact Mass: 491.00
• IUPAC Name: 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cc(COc2ccccc2Cl)cs1
• InChI: InChI=1S/C22H16Cl3N3O2S/c23-16-6-5-15(18(25)10-16)11-28-8-7-21(27-28)26-22(29)20-9-14(13-31-20)12-30-19-4-2-1-3-17(19)24/h1-10,13H,11-12H2,(H,26,27,29)
• InChIKey: LFDWRXSHWLWYNQ-UHFFFAOYSA-N
• XLogP: 6.78
• 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	492.82
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide (CID 19503134) is 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1cc(COc2ccccc2Cl)cs1.

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

The InChIKey is LFDWRXSHWLWYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N3O2S/c23-16-6-5-15(18(25)10-16)11-28-8-7-21(27-28)26-22(29)20-9-14(13-31-20)12-30-19-4-2-1-3-17(19)24/h1-10,13H,11-12H2,(H,26,27,29).

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

4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 492.82 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19503134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).