5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H15F7N4O — CID 19456030

About 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19456030) has the molecular formula C23H15F7N4O and a molecular weight of 496.39 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19456030
• Molecular Formula: C23H15F7N4O
• Molecular Weight: 496.39 g/mol
• Exact Mass: 496.11
• IUPAC Name: 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4c(F)c(F)cc(F)c4F)c3n2)cc1
• InChI: InChI=1S/C23H15F7N4O/c1-10(2)11-3-5-12(6-4-11)16-8-17(23(28,29)30)34-21(32-16)13(9-31-34)22(35)33-20-18(26)14(24)7-15(25)19(20)27/h3-10H,1-2H3,(H,33,35)
• InChIKey: MPMXLQCDLWISJB-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.39
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19456030) is 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4c(F)c(F)cc(F)c4F)c3n2)cc1.

What is the InChIKey of 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MPMXLQCDLWISJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7N4O/c1-10(2)11-3-5-12(6-4-11)16-8-17(23(28,29)30)34-21(32-16)13(9-31-34)22(35)33-20-18(26)14(24)7-15(25)19(20)27/h3-10H,1-2H3,(H,33,35).

What are the key properties of 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 496.39 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19456030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).