N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

C27H25F2N3O2 — CID 56602729

About N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (PubChem CID 56602729) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• PubChem CID: 56602729
• Molecular Formula: C27H25F2N3O2
• Molecular Weight: 461.51 g/mol
• Exact Mass: 461.19
• IUPAC Name: N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• SMILES: COc1ccc(-n2nc(CCC(=O)NCc3cc(C)cc(F)c3)cc2-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C27H25F2N3O2/c1-18-13-19(15-22(29)14-18)17-30-27(33)12-7-23-16-26(20-3-5-21(28)6-4-20)32(31-23)24-8-10-25(34-2)11-9-24/h3-6,8-11,13-16H,7,12,17H2,1-2H3,(H,30,33)
• InChIKey: WRYZMJLIAXHHDF-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.51
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The IUPAC name of N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (CID 56602729) is N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The canonical SMILES for N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is COc1ccc(-n2nc(CCC(=O)NCc3cc(C)cc(F)c3)cc2-c2ccc(F)cc2)cc1.

What is the InChIKey of N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The InChIKey is WRYZMJLIAXHHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-18-13-19(15-22(29)14-18)17-30-27(33)12-7-23-16-26(20-3-5-21(28)6-4-20)32(31-23)24-8-10-25(34-2)11-9-24/h3-6,8-11,13-16H,7,12,17H2,1-2H3,(H,30,33).

What are the key properties of N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide has a molecular weight of 461.51 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluoro-5-methylphenyl)methyl]-3-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 56602729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).