N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

C26H23ClFN3O2 — CID 56603107

About N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (PubChem CID 56603107) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• PubChem CID: 56603107
• Molecular Formula: C26H23ClFN3O2
• Molecular Weight: 463.94 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• SMILES: COc1ccc(-n2nc(CCC(=O)NCc3ccccc3Cl)cc2-c2cccc(F)c2)cc1
• InChI: InChI=1S/C26H23ClFN3O2/c1-33-23-12-10-22(11-13-23)31-25(18-6-4-7-20(28)15-18)16-21(30-31)9-14-26(32)29-17-19-5-2-3-8-24(19)27/h2-8,10-13,15-16H,9,14,17H2,1H3,(H,29,32)
• InChIKey: XPSKCRFKGQHAJZ-UHFFFAOYSA-N
• XLogP: 5.59
• 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	463.94
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (CID 56603107) is N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is COc1ccc(-n2nc(CCC(=O)NCc3ccccc3Cl)cc2-c2cccc(F)c2)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The InChIKey is XPSKCRFKGQHAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c1-33-23-12-10-22(11-13-23)31-25(18-6-4-7-20(28)15-18)16-21(30-31)9-14-26(32)29-17-19-5-2-3-8-24(19)27/h2-8,10-13,15-16H,9,14,17H2,1H3,(H,29,32).

What are the key properties of N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide has a molecular weight of 463.94 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 56603107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).