4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C24H22ClN3O2S — CID 19488786

About 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19488786) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
• PubChem CID: 19488786
• Molecular Formula: C24H22ClN3O2S
• Molecular Weight: 451.98 g/mol
• Exact Mass: 451.11
• IUPAC Name: 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(Cl)c(OCc2csc(C(=O)Nc3cnn(Cc4ccccc4C)c3)c2)c1
• InChI: InChI=1S/C24H22ClN3O2S/c1-16-7-8-21(25)22(9-16)30-14-18-10-23(31-15-18)24(29)27-20-11-26-28(13-20)12-19-6-4-3-5-17(19)2/h3-11,13,15H,12,14H2,1-2H3,(H,27,29)
• InChIKey: BKRRNQCJUFUXFI-UHFFFAOYSA-N
• XLogP: 6.09
• 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	451.98
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 19488786) is 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is Cc1ccc(Cl)c(OCc2csc(C(=O)Nc3cnn(Cc4ccccc4C)c3)c2)c1.

What is the InChIKey of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

The InChIKey is BKRRNQCJUFUXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c1-16-7-8-21(25)22(9-16)30-14-18-10-23(31-15-18)24(29)27-20-11-26-28(13-20)12-19-6-4-3-5-17(19)2/h3-11,13,15H,12,14H2,1-2H3,(H,27,29).

What are the key properties of 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?

4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 451.98 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19488786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).