5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H20F4N4O — CID 19451781

About 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19451781) has the molecular formula C24H20F4N4O and a molecular weight of 456.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19451781
• Molecular Formula: C24H20F4N4O
• Molecular Weight: 456.44 g/mol
• Exact Mass: 456.16
• IUPAC Name: 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCC(NC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1ccc(C)cc1
• InChI: InChI=1S/C24H20F4N4O/c1-3-18(15-6-4-14(2)5-7-15)30-23(33)20-13-22-29-19(16-8-10-17(25)11-9-16)12-21(24(26,27)28)32(22)31-20/h4-13,18H,3H2,1-2H3,(H,30,33)
• InChIKey: GJRPPOOFSSYPHC-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.44
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19451781) is 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(NC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1ccc(C)cc1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is GJRPPOOFSSYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O/c1-3-18(15-6-4-14(2)5-7-15)30-23(33)20-13-22-29-19(16-8-10-17(25)11-9-16)12-21(24(26,27)28)32(22)31-20/h4-13,18H,3H2,1-2H3,(H,30,33).

What are the key properties of 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 456.44 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19451781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).