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

C26H22ClF2N3O2 — CID 56603283

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

N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (PubChem CID 56603283) has the molecular formula C26H22ClF2N3O2 and a molecular weight of 481.93 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• PubChem CID: 56603283
• Molecular Formula: C26H22ClF2N3O2
• Molecular Weight: 481.93 g/mol
• Exact Mass: 481.14
• IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• SMILES: COc1ccc(-n2nc(CCC(=O)NCc3ccc(F)c(Cl)c3)cc2-c2cccc(F)c2)cc1
• InChI: InChI=1S/C26H22ClF2N3O2/c1-34-22-9-7-21(8-10-22)32-25(18-3-2-4-19(28)14-18)15-20(31-32)6-12-26(33)30-16-17-5-11-24(29)23(27)13-17/h2-5,7-11,13-15H,6,12,16H2,1H3,(H,30,33)
• InChIKey: AQTRCAGTWQRTTC-UHFFFAOYSA-N
• XLogP: 5.73
• 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	481.93
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (CID 56603283) is N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

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

The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is COc1ccc(-n2nc(CCC(=O)NCc3ccc(F)c(Cl)c3)cc2-c2cccc(F)c2)cc1.

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

The InChIKey is AQTRCAGTWQRTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N3O2/c1-34-22-9-7-21(8-10-22)32-25(18-3-2-4-19(28)14-18)15-20(31-32)6-12-26(33)30-16-17-5-11-24(29)23(27)13-17/h2-5,7-11,13-15H,6,12,16H2,1H3,(H,30,33).

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

N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide has a molecular weight of 481.93 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 56603283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).