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

C25H21ClFN3O2 — CID 67997353

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

N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide (PubChem CID 67997353) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide
• PubChem CID: 67997353
• Molecular Formula: C25H21ClFN3O2
• Molecular Weight: 449.91 g/mol
• Exact Mass: 449.13
• IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide
• SMILES: O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(O)cc2)n1)NCc1cccc(Cl)c1
• InChI: InChI=1S/C25H21ClFN3O2/c26-19-5-1-3-17(13-19)16-28-25(32)12-7-21-15-24(18-4-2-6-20(27)14-18)30(29-21)22-8-10-23(31)11-9-22/h1-6,8-11,13-15,31H,7,12,16H2,(H,28,32)
• InChIKey: USJKIWYTQIPSHG-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 67.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.91
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide (CID 67997353) is N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide.

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

The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide is O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(O)cc2)n1)NCc1cccc(Cl)c1.

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

The InChIKey is USJKIWYTQIPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c26-19-5-1-3-17(13-19)16-28-25(32)12-7-21-15-24(18-4-2-6-20(27)14-18)30(29-21)22-8-10-23(31)11-9-22/h1-6,8-11,13-15,31H,7,12,16H2,(H,28,32).

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

N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide has a molecular weight of 449.91 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 67997353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).