5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H21F3N4O3 — CID 1046504

About 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1046504) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 1046504
• Molecular Formula: C24H21F3N4O3
• Molecular Weight: 470.45 g/mol
• Exact Mass: 470.16
• IUPAC Name: 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3n2)cc1OC
• InChI: InChI=1S/C24H21F3N4O3/c1-14(15-7-5-4-6-8-15)29-23(32)17-13-28-31-21(24(25,26)27)12-18(30-22(17)31)16-9-10-19(33-2)20(11-16)34-3/h4-14H,1-3H3,(H,29,32)/t14-/m1/s1
• InChIKey: OVIQSFLBPIKKRQ-CQSZACIVSA-N
• XLogP: 4.92
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.45
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1046504) is 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3n2)cc1OC.

What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is OVIQSFLBPIKKRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-14(15-7-5-4-6-8-15)29-23(32)17-13-28-31-21(24(25,26)27)12-18(30-22(17)31)16-9-10-19(33-2)20(11-16)34-3/h4-14H,1-3H3,(H,29,32)/t14-/m1/s1.

What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1046504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).