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

C32H25Br3F6N8O2 — CID 165051350

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

5-bromo-4-(bromomethyl)-1-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde (PubChem CID 165051350) has the molecular formula C32H25Br3F6N8O2 and a molecular weight of 907.31 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)-1-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
• PubChem CID: 165051350
• Molecular Formula: C32H25Br3F6N8O2
• Molecular Weight: 907.31 g/mol
• Exact Mass: 903.96
• IUPAC Name: 5-bromo-4-(bromomethyl)-1-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
• SMILES: FC(F)Cn1ncc(CBr)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br
• InChI: InChI=1S/C16H12BrF3N4O.C10H7FN2O.C6H6Br2F2N2/c17-15-11(6-22-24(15)8-14(19)20)7-23-4-3-21-16(23)13-2-1-12(18)5-10(13)9-25;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;7-1-4-2-11-12(6(4)8)3-5(9)10/h1-6,9,14H,7-8H2;1-6H,(H,12,13);2,5H,1,3H2
• InChIKey: PSDWCYRNAXAKHD-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 116.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.31
LogP ≤ 5	8.61
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-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde (CID 165051350) is 5-bromo-4-(bromomethyl)-1-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde is FC(F)Cn1ncc(CBr)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(CC(F)F)c1Br.

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

The InChIKey is PSDWCYRNAXAKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N4O.C10H7FN2O.C6H6Br2F2N2/c17-15-11(6-22-24(15)8-14(19)20)7-23-4-3-21-16(23)13-2-1-12(18)5-10(13)9-25;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;7-1-4-2-11-12(6(4)8)3-5(9)10/h1-6,9,14H,7-8H2;1-6H,(H,12,13);2,5H,1,3H2.

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

5-bromo-4-(bromomethyl)-1-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde has a molecular weight of 907.31 g/mol, XLogP of 8.61, 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-(2,2-difluoroethyl)pyrazole;2-[1-[[5-bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde is sourced from PubChem (CID 165051350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).