2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

C23H20F2N2O3S2 — CID 59631751

About 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol

2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (PubChem CID 59631751) has the molecular formula C23H20F2N2O3S2 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
• PubChem CID: 59631751
• Molecular Formula: C23H20F2N2O3S2
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.09
• IUPAC Name: 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
• SMILES: CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccc(F)cc2F)n1
• InChI: InChI=1S/C23H20F2N2O3S2/c1-23(2,28)22-13-19(27(26-22)18-8-7-15(24)12-17(18)25)21-10-9-20(31-21)14-5-4-6-16(11-14)32(3,29)30/h4-13,28H,1-3H3
• InChIKey: VYQWEMJXTCWZSC-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The IUPAC name of 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol (CID 59631751) is 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol.

What is the SMILES notation for 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The canonical SMILES for 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccc(F)cc2F)n1.

What is the InChIKey of 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

The InChIKey is VYQWEMJXTCWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3S2/c1-23(2,28)22-13-19(27(26-22)18-8-7-15(24)12-17(18)25)21-10-9-20(31-21)14-5-4-6-16(11-14)32(3,29)30/h4-13,28H,1-3H3.

What are the key properties of 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol?

2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol has a molecular weight of 474.55 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59631751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).