5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

C10H6BrFN2O — CID 83913544

IUPAC5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)n[nH]c1Br
InChIInChI=1S/C10H6BrFN2O/c11-10-8(5-15)9(13-14-10)6-1-3-7(12)4-2-6/h1-5H,(H,13,14)
InChIKeyDKALZPQKCCWBHU-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 83913544) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
PubChem CID83913544
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)n[nH]c1Br
InChIInChI=1S/C10H6BrFN2O/c11-10-8(5-15)9(13-14-10)6-1-3-7(12)4-2-6/h1-5H,(H,13,14)
InChIKeyDKALZPQKCCWBHU-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 83911072
3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 83913586
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one
CID 165373244
5-bromo-1-(2-fluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 87406174
5-bromo-3-(4-fluorophenyl)-1-(4-nitrophenyl)pyrazole-4-carbaldehyde
CID 87405743
4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 83913589
7-bromo-2-(4-fluorophenyl)-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbaldehyde
CID 54501632
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 22174842
ethane;4-(4-fluorophenyl)-2-(methylamino)-6-propan-2-ylpyrimidine-5-carbaldehyde
CID 143766010
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 87734412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde (CID 83913544) is 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)n[nH]c1Br.
What is the InChIKey of 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is DKALZPQKCCWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-10-8(5-15)9(13-14-10)6-1-3-7(12)4-2-6/h1-5H,(H,13,14).
What are the key properties of 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde?
5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 269.07 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 83913544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).