1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde

C16H10BrClN2O — CID 43324169

IUPAC1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H10BrClN2O/c17-12-5-7-13(8-6-12)20-9-11(10-21)16(19-20)14-3-1-2-4-15(14)18/h1-10H
InChIKeyDARGFGKCGAEXDA-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.77
Rot. Bonds3

About 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde

1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde (PubChem CID 43324169) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
PubChem CID43324169
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H10BrClN2O/c17-12-5-7-13(8-6-12)20-9-11(10-21)16(19-20)14-3-1-2-4-15(14)18/h1-10H
InChIKeyDARGFGKCGAEXDA-UHFFFAOYSA-N
XLogP4.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.77
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-(4-bromophenyl)-3-(5-chlorothiophen-2-yl)pyrazole-4-carbaldehyde
CID 43439107
CID 42604299
CID 42604299
3-(2,4-dichloro-5-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 3728641
3-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 81042312
(5Z)-5-[[3-(2-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87519950
3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 12073551
3-(4-bromothiophen-3-yl)-1-(4-chloro-3-fluorophenyl)pyrazole-4-carbaldehyde
CID 106758537
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
1-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde
CID 43324048
3-(5-bromo-2-methylthiophen-3-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 66231602

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde (CID 43324169) is 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is DARGFGKCGAEXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-12-5-7-13(8-6-12)20-9-11(10-21)16(19-20)14-3-1-2-4-15(14)18/h1-10H.
What are the key properties of 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde?
1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 361.63 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-chlorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43324169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).