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

C30H21Br2ClF6N8O2 — CID 164978452

IUPAC5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
SMILESFC(F)n1ncc(CCl)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(C(F)F)c1Br
InChIInChI=1S/C15H10BrF3N4O.C10H7FN2O.C5H4BrClF2N2/c16-13-10(6-21-23(13)15(18)19)7-22-4-3-20-14(22)12-2-1-11(17)5-9(12)8-24;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;6-4-3(1-7)2-10-11(4)5(8)9/h1-6,8,15H,7H2;1-6H,(H,12,13);2,5H,1H2
InChIKeyFCXVWMNSMKUDEW-UHFFFAOYSA-N
MW834.80 g/mol
LogP8.71
Rot. Bonds9

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

5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde (PubChem CID 164978452) has the molecular formula C30H21Br2ClF6N8O2 and a molecular weight of 834.80 g/mol. Its IUPAC name is 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
PubChem CID164978452
Molecular FormulaC30H21Br2ClF6N8O2
Molecular Weight834.80 g/mol
Exact Mass831.97
IUPAC Name5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
SMILESFC(F)n1ncc(CCl)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(C(F)F)c1Br
InChIInChI=1S/C15H10BrF3N4O.C10H7FN2O.C5H4BrClF2N2/c16-13-10(6-21-23(13)15(18)19)7-22-4-3-20-14(22)12-2-1-11(17)5-9(12)8-24;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;6-4-3(1-7)2-10-11(4)5(8)9/h1-6,8,15H,7H2;1-6H,(H,12,13);2,5H,1H2
InChIKeyFCXVWMNSMKUDEW-UHFFFAOYSA-N
XLogP8.71
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.80
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[5-Bromo-1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde
CID 164718988
2-[1-[[5-Bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde
CID 164719099
2-[1-[[5-Bromo-1-(2-fluoroethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde
CID 164719491
1-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-2-(4-fluoro-2-iodophenyl)-4-methylimidazole;1-[2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-methylimidazol-2-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
CID 164947019
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
5-bromo-4-(bromomethyl)-1-ethylpyrazole;2-[1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
CID 165019861
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
5-bromo-4-(bromomethyl)-1-cyclobutylpyrazole;2-[1-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde
CID 165103256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?
The IUPAC name of 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde (CID 164978452) is 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)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-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?
The canonical SMILES for 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde is FC(F)n1ncc(CCl)c1Br.O=Cc1cc(F)ccc1-c1ncc[nH]1.O=Cc1cc(F)ccc1-c1nccn1Cc1cnn(C(F)F)c1Br.
What is the InChIKey of 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?
The InChIKey is FCXVWMNSMKUDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N4O.C10H7FN2O.C5H4BrClF2N2/c16-13-10(6-21-23(13)15(18)19)7-22-4-3-20-14(22)12-2-1-11(17)5-9(12)8-24;11-8-1-2-9(7(5-8)6-14)10-12-3-4-13-10;6-4-3(1-7)2-10-11(4)5(8)9/h1-6,8,15H,7H2;1-6H,(H,12,13);2,5H,1H2.
What are the key properties of 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde?
5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde has a molecular weight of 834.80 g/mol, XLogP of 8.71, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(chloromethyl)-1-(difluoromethyl)pyrazole;2-[1-[[5-bromo-1-(difluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]-5-fluorobenzaldehyde;5-fluoro-2-(1H-imidazol-2-yl)benzaldehyde is sourced from PubChem (CID 164978452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).