N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C26H27FN4O — CID 20863000

About N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 20863000) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
• PubChem CID: 20863000
• Molecular Formula: C26H27FN4O
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.22
• IUPAC Name: N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
• SMILES: CCc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1
• InChI: InChI=1S/C26H27FN4O/c1-5-19-7-6-8-22(15-19)29-24(32)14-13-23-16(2)28-26-25(17(3)30-31(26)18(23)4)20-9-11-21(27)12-10-20/h6-12,15H,5,13-14H2,1-4H3,(H,29,32)
• InChIKey: OZULZLQTRSQSER-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The IUPAC name of N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 20863000) is N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

What is the SMILES notation for N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The canonical SMILES for N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is CCc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)c1.

What is the InChIKey of N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

The InChIKey is OZULZLQTRSQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c1-5-19-7-6-8-22(15-19)29-24(32)14-13-23-16(2)28-26-25(17(3)30-31(26)18(23)4)20-9-11-21(27)12-10-20/h6-12,15H,5,13-14H2,1-4H3,(H,29,32).

What are the key properties of N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?

N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 430.53 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethylphenyl)-3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 20863000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).