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

C10H6BrFN2O — CID 165473212

IUPAC3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2)nc1Br
InChIInChI=1S/C10H6BrFN2O/c11-10-7(6-15)5-14(13-10)9-3-1-8(12)2-4-9/h1-6H
InChIKeyHTUDQYIOAIVAOM-UHFFFAOYSA-N
MW269.07 g/mol
LogP2.59
Rot. Bonds2

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

3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde (PubChem CID 165473212) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
PubChem CID165473212
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(F)cc2)nc1Br
InChIInChI=1S/C10H6BrFN2O/c11-10-7(6-15)5-14(13-10)9-3-1-8(12)2-4-9/h1-6H
InChIKeyHTUDQYIOAIVAOM-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 107354801
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
3-tert-butyl-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 43141233
1-(4-fluorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43324186
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
3-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 143399921
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
3-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 81042312
3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
CID 43324169
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
1-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde (CID 165473212) is 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(F)cc2)nc1Br.
What is the InChIKey of 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is HTUDQYIOAIVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c11-10-7(6-15)5-14(13-10)9-3-1-8(12)2-4-9/h1-6H.
What are the key properties of 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde?
3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 269.07 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-fluorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 165473212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).