1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H15F5N4OS — CID 112846127

About 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112846127) has the molecular formula C22H15F5N4OS and a molecular weight of 478.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 112846127
• Molecular Formula: C22H15F5N4OS
• Molecular Weight: 478.45 g/mol
• Exact Mass: 478.09
• IUPAC Name: 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1nc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)sc1Cc1ccccc1F
• InChI: InChI=1S/C22H15F5N4OS/c1-12-18(10-13-6-2-3-7-15(13)23)33-21(29-12)30-20(32)14-11-28-31(19(14)22(25,26)27)17-9-5-4-8-16(17)24/h2-9,11H,10H2,1H3,(H,29,30,32)
• InChIKey: DGNHWMXKLKVHOY-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.45
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112846127) is 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)sc1Cc1ccccc1F.

What is the InChIKey of 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is DGNHWMXKLKVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N4OS/c1-12-18(10-13-6-2-3-7-15(13)23)33-21(29-12)30-20(32)14-11-28-31(19(14)22(25,26)27)17-9-5-4-8-16(17)24/h2-9,11H,10H2,1H3,(H,29,30,32).

What are the key properties of 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 478.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112846127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).