3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

C27H26FN3O2 — CID 67997798

About 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 67997798) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
• PubChem CID: 67997798
• Molecular Formula: C27H26FN3O2
• Molecular Weight: 443.52 g/mol
• Exact Mass: 443.20
• IUPAC Name: 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
• SMILES: COc1ccccc1-n1nc(CCC(=O)NCc2cccc(C)c2)cc1-c1cccc(F)c1
• InChI: InChI=1S/C27H26FN3O2/c1-19-7-5-8-20(15-19)18-29-27(32)14-13-23-17-25(21-9-6-10-22(28)16-21)31(30-23)24-11-3-4-12-26(24)33-2/h3-12,15-17H,13-14,18H2,1-2H3,(H,29,32)
• InChIKey: ZQXPUXAEEBOGIK-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.52
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?

The IUPAC name of 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide (CID 67997798) is 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide.

What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?

The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide is COc1ccccc1-n1nc(CCC(=O)NCc2cccc(C)c2)cc1-c1cccc(F)c1.

What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?

The InChIKey is ZQXPUXAEEBOGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-19-7-5-8-20(15-19)18-29-27(32)14-13-23-17-25(21-9-6-10-22(28)16-21)31(30-23)24-11-3-4-12-26(24)33-2/h3-12,15-17H,13-14,18H2,1-2H3,(H,29,32).

What are the key properties of 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide?

3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 443.52 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(3-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 67997798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).