5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde

C32H27Br3F4N8O2 — CID 164974568

About 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde

5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde (PubChem CID 164974568) has the molecular formula C32H27Br3F4N8O2 and a molecular weight of 871.33 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde.

Molecular Properties

• Compound Name: 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
• PubChem CID: 164974568
• Molecular Formula: C32H27Br3F4N8O2
• Molecular Weight: 871.33 g/mol
• Exact Mass: 867.97
• IUPAC Name: 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
• SMILES: FCCn1ncc(CBr)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CCF)c1Br
• InChI: InChI=1S/C16H13BrF2N4O.C10H7FN2O.C6H7Br2FN2/c17-15-12(8-21-23(15)5-3-18)9-22-6-4-20-16(22)14-2-1-13(19)7-11(14)10-24;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;7-3-5-4-10-11(2-1-9)6(5)8/h1-2,4,6-8,10H,3,5,9H2;1-6H,(H,12,13);4H,1-3H2
• InChIKey: DOZHEQKXZCDXDK-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 116.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.33
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?

The IUPAC name of 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde (CID 164974568) is 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde.

What is the SMILES notation for 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?

The canonical SMILES for 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde is FCCn1ncc(CBr)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CCF)c1Br.

What is the InChIKey of 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?

The InChIKey is DOZHEQKXZCDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N4O.C10H7FN2O.C6H7Br2FN2/c17-15-12(8-21-23(15)5-3-18)9-22-6-4-20-16(22)14-2-1-13(19)7-11(14)10-24;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;7-3-5-4-10-11(2-1-9)6(5)8/h1-2,4,6-8,10H,3,5,9H2;1-6H,(H,12,13);4H,1-3H2.

What are the key properties of 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?

5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde has a molecular weight of 871.33 g/mol, XLogP of 8.02, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(bromomethyl)-1-(2-fluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde is sourced from PubChem (CID 164974568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).