[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone

C24H30FN3O2Si — CID 70101884

About [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone (PubChem CID 70101884) has the molecular formula C24H30FN3O2Si and a molecular weight of 439.61 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone.

Molecular Properties

• Compound Name: [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone
• PubChem CID: 70101884
• Molecular Formula: C24H30FN3O2Si
• Molecular Weight: 439.61 g/mol
• Exact Mass: 439.21
• IUPAC Name: [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone
• SMILES: CC(C)(C)[Si](C)(C)OCCc1cccc(C(=O)c2c(N)n[nH]c2-c2ccc(F)cc2)c1
• InChI: InChI=1S/C24H30FN3O2Si/c1-24(2,3)31(4,5)30-14-13-16-7-6-8-18(15-16)22(29)20-21(27-28-23(20)26)17-9-11-19(25)12-10-17/h6-12,15H,13-14H2,1-5H3,(H3,26,27,28)
• InChIKey: BFGKMGZNWSYEAL-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 81.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.61
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone?

The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone (CID 70101884) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone.

What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone?

The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone is CC(C)(C)[Si](C)(C)OCCc1cccc(C(=O)c2c(N)n[nH]c2-c2ccc(F)cc2)c1.

What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone?

The InChIKey is BFGKMGZNWSYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2Si/c1-24(2,3)31(4,5)30-14-13-16-7-6-8-18(15-16)22(29)20-21(27-28-23(20)26)17-9-11-19(25)12-10-17/h6-12,15H,13-14H2,1-5H3,(H3,26,27,28).

What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone?

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone has a molecular weight of 439.61 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methanone is sourced from PubChem (CID 70101884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).