5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde

C16H10Br2N2O — CID 131866673

IUPAC5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Br)nn(-c2ccccc2)c1Br
InChIInChI=1S/C16H10Br2N2O/c17-14-9-5-4-8-12(14)15-13(10-21)16(18)20(19-15)11-6-2-1-3-7-11/h1-10H
InChIKeyMJHLNDHBYHQJLR-UHFFFAOYSA-N
MW406.08 g/mol
LogP4.88
Rot. Bonds3

About 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde

5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde (PubChem CID 131866673) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
PubChem CID131866673
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2Br)nn(-c2ccccc2)c1Br
InChIInChI=1S/C16H10Br2N2O/c17-14-9-5-4-8-12(14)15-13(10-21)16(18)20(19-15)11-6-2-1-3-7-11/h1-10H
InChIKeyMJHLNDHBYHQJLR-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

5-bromo-3-(2,3-dichlorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 87406923
5-bromo-3-(2,3-dimethoxyphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 87404898
5-bromo-3-(2,3-difluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 87405510
5-bromo-1-(3-chlorophenyl)-3-(2,3-difluorophenyl)pyrazole-4-carbaldehyde
CID 87406684
5-bromo-3-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123551348
3-(2-bromophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 43336800
3-(2-bromophenyl)-1-phenylisochromeno[4,3-c]pyrazol-5-one
CID 132514470
4,5-bis(2-bromophenyl)-2-phenyltriazole
CID 141418931
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
2-bromo-6-(2-bromophenyl)benzaldehyde
CID 90419331
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
5-bromo-3-(2,3-difluorophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbaldehyde
CID 87404943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde (CID 131866673) is 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde is O=Cc1c(-c2ccccc2Br)nn(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is MJHLNDHBYHQJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-14-9-5-4-8-12(14)15-13(10-21)16(18)20(19-15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde?
5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-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 5-bromo-3-(2-bromophenyl)-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 131866673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).