1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide

C26H19ClN4O3S2 — CID 59631670

About 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide

1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 59631670) has the molecular formula C26H19ClN4O3S2 and a molecular weight of 535.05 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
• PubChem CID: 59631670
• Molecular Formula: C26H19ClN4O3S2
• Molecular Weight: 535.05 g/mol
• Exact Mass: 534.06
• IUPAC Name: 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
• SMILES: CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)Nc4cccnc4)nn3-c3ccccc3Cl)s2)c1
• InChI: InChI=1S/C26H19ClN4O3S2/c1-36(33,34)19-8-4-6-17(14-19)24-11-12-25(35-24)23-15-21(26(32)29-18-7-5-13-28-16-18)30-31(23)22-10-3-2-9-20(22)27/h2-16H,1H3,(H,29,32)
• InChIKey: JSLKJJMNLOOUHO-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 93.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.05
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide (CID 59631670) is 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide is CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)Nc4cccnc4)nn3-c3ccccc3Cl)s2)c1.

What is the InChIKey of 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide?

The InChIKey is JSLKJJMNLOOUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O3S2/c1-36(33,34)19-8-4-6-17(14-19)24-11-12-25(35-24)23-15-21(26(32)29-18-7-5-13-28-16-18)30-31(23)22-10-3-2-9-20(22)27/h2-16H,1H3,(H,29,32).

What are the key properties of 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide?

1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 535.05 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-N-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 59631670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).