N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H19F3N4O2S — CID 19453629

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19453629) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19453629
• Molecular Formula: C22H19F3N4O2S
• Molecular Weight: 460.48 g/mol
• Exact Mass: 460.12
• IUPAC Name: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
• InChI: InChI=1S/C22H19F3N4O2S/c1-11(2)13-8-14(12(3)7-17(13)30)27-21(31)16-10-20-26-15(18-5-4-6-32-18)9-19(22(23,24)25)29(20)28-16/h4-11,30H,1-3H3,(H,27,31)
• InChIKey: GSAMGLCZKYEYQQ-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 79.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.48
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19453629) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1.

What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is GSAMGLCZKYEYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c1-11(2)13-8-14(12(3)7-17(13)30)27-21(31)16-10-20-26-15(18-5-4-6-32-18)9-19(22(23,24)25)29(20)28-16/h4-11,30H,1-3H3,(H,27,31).

What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19453629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).