1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone

C32H35N3O — CID 157241269

About 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone

1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone (PubChem CID 157241269) has the molecular formula C32H35N3O and a molecular weight of 477.65 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone
• PubChem CID: 157241269
• Molecular Formula: C32H35N3O
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.28
• IUPAC Name: 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone
• SMILES: Cc1ccc(C(CCC2CC2)c2cccc(CC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)cc1
• InChI: InChI=1S/C32H35N3O/c1-22-9-14-27(15-10-22)30(16-13-24-11-12-24)28-7-3-5-25(18-28)20-32(36)31-17-23(2)34-35(31)29-8-4-6-26(19-29)21-33/h3-10,14-15,17-19,24,30H,11-13,16,20-21,33H2,1-2H3
• InChIKey: INKFIVYIIXRUKM-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 60.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone?

The IUPAC name of 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone (CID 157241269) is 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone.

What is the SMILES notation for 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone?

The canonical SMILES for 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone is Cc1ccc(C(CCC2CC2)c2cccc(CC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)cc1.

What is the InChIKey of 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone?

The InChIKey is INKFIVYIIXRUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O/c1-22-9-14-27(15-10-22)30(16-13-24-11-12-24)28-7-3-5-25(18-28)20-32(36)31-17-23(2)34-35(31)29-8-4-6-26(19-29)21-33/h3-10,14-15,17-19,24,30H,11-13,16,20-21,33H2,1-2H3.

What are the key properties of 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone?

1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone has a molecular weight of 477.65 g/mol, XLogP of 6.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[3-cyclopropyl-1-(4-methylphenyl)propyl]phenyl]ethanone is sourced from PubChem (CID 157241269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).