5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol

C20H16F3N3O2S — CID 3564135

About 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol

5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 3564135) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

• Compound Name: 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
• PubChem CID: 3564135
• Molecular Formula: C20H16F3N3O2S
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.09
• IUPAC Name: 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
• SMILES: Cc1ccc(-c2csc(N3N=C(C=Cc4ccco4)CC3(O)C(F)(F)F)n2)cc1
• InChI: InChI=1S/C20H16F3N3O2S/c1-13-4-6-14(7-5-13)17-12-29-18(24-17)26-19(27,20(21,22)23)11-15(25-26)8-9-16-3-2-10-28-16/h2-10,12,27H,11H2,1H3
• InChIKey: CUAYPWFYSAAIBE-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 61.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.43
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?

The IUPAC name of 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 3564135) is 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.

What is the SMILES notation for 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?

The canonical SMILES for 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1ccc(-c2csc(N3N=C(C=Cc4ccco4)CC3(O)C(F)(F)F)n2)cc1.

What is the InChIKey of 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?

The InChIKey is CUAYPWFYSAAIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c1-13-4-6-14(7-5-13)17-12-29-18(24-17)26-19(27,20(21,22)23)11-15(25-26)8-9-16-3-2-10-28-16/h2-10,12,27H,11H2,1H3.

What are the key properties of 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?

5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 419.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(furan-2-yl)ethenyl]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 3564135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).