5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

C23H18Cl3N3OS — CID 58880344

About 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (PubChem CID 58880344) has the molecular formula C23H18Cl3N3OS and a molecular weight of 490.84 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
• PubChem CID: 58880344
• Molecular Formula: C23H18Cl3N3OS
• Molecular Weight: 490.84 g/mol
• Exact Mass: 489.02
• IUPAC Name: 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
• SMILES: Cc1c(C(=O)N[C@@H](C)c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1
• InChI: InChI=1S/C23H18Cl3N3OS/c1-13-21(23(30)27-14(2)15-6-4-3-5-7-15)28-29(18-9-8-16(24)12-17(18)25)22(13)19-10-11-20(26)31-19/h3-12,14H,1-2H3,(H,27,30)/t14-/m0/s1
• InChIKey: UEGGDLWLEZYLQN-AWEZNQCLSA-N
• XLogP: 7.36
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.84
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?

The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide (CID 58880344) is 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?

The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is Cc1c(C(=O)N[C@@H](C)c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1.

What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?

The InChIKey is UEGGDLWLEZYLQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H18Cl3N3OS/c1-13-21(23(30)27-14(2)15-6-4-3-5-7-15)28-29(18-9-8-16(24)12-17(18)25)22(13)19-10-11-20(26)31-19/h3-12,14H,1-2H3,(H,27,30)/t14-/m0/s1.

What are the key properties of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide?

5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 58880344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).