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

C22H26FN3O — CID 93230147

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

1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 93230147) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
• PubChem CID: 93230147
• Molecular Formula: C22H26FN3O
• Molecular Weight: 367.47 g/mol
• Exact Mass: 367.21
• IUPAC Name: 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
• SMILES: Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)CN(C)C(C)C
• InChI: InChI=1S/C22H26FN3O/c1-15(2)25(4)14-22(27)26-21(19-11-6-5-8-16(19)3)13-20(24-26)17-9-7-10-18(23)12-17/h5-12,15,21H,13-14H2,1-4H3/t21-/m0/s1
• InChIKey: PDEUXNTWGDBOHC-NRFANRHFSA-N
• XLogP: 4.15
• TPSA: 35.91 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.47
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 93230147) is 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone.

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

The canonical SMILES for 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone is Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)CN(C)C(C)C.

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

The InChIKey is PDEUXNTWGDBOHC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-15(2)25(4)14-22(27)26-21(19-11-6-5-8-16(19)3)13-20(24-26)17-9-7-10-18(23)12-17/h5-12,15,21H,13-14H2,1-4H3/t21-/m0/s1.

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

1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 367.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-5-(3-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 93230147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).