1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde

C16H10Br2N2O — CID 43542676

IUPAC1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Br)c2)nc1-c1cccc(Br)c1
InChIInChI=1S/C16H10Br2N2O/c17-13-4-1-3-11(7-13)16-12(10-21)9-20(19-16)15-6-2-5-14(18)8-15/h1-10H
InChIKeyFHICWNBAOFVJJF-UHFFFAOYSA-N
MW406.08 g/mol
LogP4.88
Rot. Bonds3

About 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde

1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde (PubChem CID 43542676) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
PubChem CID43542676
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2cccc(Br)c2)nc1-c1cccc(Br)c1
InChIInChI=1S/C16H10Br2N2O/c17-13-4-1-3-11(7-13)16-12(10-21)9-20(19-16)15-6-2-5-14(18)8-15/h1-10H
InChIKeyFHICWNBAOFVJJF-UHFFFAOYSA-N
XLogP4.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 54.88
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

1-(3-bromophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 43542689
1-(3-bromophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43542683
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
(Z)-1-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 9014497
3-(4-bromothiophen-2-yl)-1-(3-chlorophenyl)pyrazole-4-carbaldehyde
CID 107354799
3-(3-bromophenyl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 61414673
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N,N-diethylprop-2-enamide
CID 1322616
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 11069064
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 1306988
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde (CID 43542676) is 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2cccc(Br)c2)nc1-c1cccc(Br)c1.
What is the InChIKey of 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde?
The InChIKey is FHICWNBAOFVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-13-4-1-3-11(7-13)16-12(10-21)9-20(19-16)15-6-2-5-14(18)8-15/h1-10H.
What are the key properties of 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde?
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde has a molecular weight of 406.08 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43542676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).