2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C25H25ClN2O3S2 — CID 59632179

About 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632179) has the molecular formula C25H25ClN2O3S2 and a molecular weight of 501.07 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
• PubChem CID: 59632179
• Molecular Formula: C25H25ClN2O3S2
• Molecular Weight: 501.07 g/mol
• Exact Mass: 500.10
• IUPAC Name: 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
• SMILES: CCc1cc(-c2cccc(S(C)(=O)=O)c2)sc1-c1cc(C(C)(C)O)nn1-c1ccccc1Cl
• InChI: InChI=1S/C25H25ClN2O3S2/c1-5-16-14-22(17-9-8-10-18(13-17)33(4,30)31)32-24(16)21-15-23(25(2,3)29)27-28(21)20-12-7-6-11-19(20)26/h6-15,29H,5H2,1-4H3
• InChIKey: WHGDPMUDCNHYEM-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.07
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The IUPAC name of 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59632179) is 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CCc1cc(-c2cccc(S(C)(=O)=O)c2)sc1-c1cc(C(C)(C)O)nn1-c1ccccc1Cl.

What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The InChIKey is WHGDPMUDCNHYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S2/c1-5-16-14-22(17-9-8-10-18(13-17)33(4,30)31)32-24(16)21-15-23(25(2,3)29)27-28(21)20-12-7-6-11-19(20)26/h6-15,29H,5H2,1-4H3.

What are the key properties of 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 501.07 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).