5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C28H21F3N4O2 — CID 42877589

About 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877589) has the molecular formula C28H21F3N4O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 42877589
• Molecular Formula: C28H21F3N4O2
• Molecular Weight: 502.50 g/mol
• Exact Mass: 502.16
• IUPAC Name: 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: COc1ccccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)n2nc(-c3ccccc3)cc2n1
• InChI: InChI=1S/C28H21F3N4O2/c1-37-25-13-6-5-12-21(25)23-15-24(27(36)32-17-18-8-7-11-20(14-18)28(29,30)31)35-26(33-23)16-22(34-35)19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,32,36)
• InChIKey: NSFASJVFQJFWGN-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.50
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877589) is 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)n2nc(-c3ccccc3)cc2n1.

What is the InChIKey of 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is NSFASJVFQJFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2/c1-37-25-13-6-5-12-21(25)23-15-24(27(36)32-17-18-8-7-11-20(14-18)28(29,30)31)35-26(33-23)16-22(34-35)19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,32,36).

What are the key properties of 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?

5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).