1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone

C24H28FN3O — CID 93229722

About 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone

1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 93229722) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone
• PubChem CID: 93229722
• Molecular Formula: C24H28FN3O
• Molecular Weight: 393.51 g/mol
• Exact Mass: 393.22
• IUPAC Name: 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone
• SMILES: Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(F)cc3)C2)c1
• InChI: InChI=1S/C24H28FN3O/c1-17-10-12-27(13-11-17)16-24(29)28-23(19-6-8-21(25)9-7-19)15-22(26-28)20-5-3-4-18(2)14-20/h3-9,14,17,23H,10-13,15-16H2,1-2H3/t23-/m0/s1
• InChIKey: OKVZTXMSZGKNJJ-QHCPKHFHSA-N
• XLogP: 4.54
• TPSA: 35.91 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.51
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone?

The IUPAC name of 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone (CID 93229722) is 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone.

What is the SMILES notation for 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone?

The canonical SMILES for 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone is Cc1cccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(F)cc3)C2)c1.

What is the InChIKey of 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone?

The InChIKey is OKVZTXMSZGKNJJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-17-10-12-27(13-11-17)16-24(29)28-23(19-6-8-21(25)9-7-19)15-22(26-28)20-5-3-4-18(2)14-20/h3-9,14,17,23H,10-13,15-16H2,1-2H3/t23-/m0/s1.

What are the key properties of 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone?

1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 393.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-(4-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 93229722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).