1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde

C15H9Cl2N3O — CID 43324340

IUPAC1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccncc1
InChIInChI=1S/C15H9Cl2N3O/c16-12-1-2-14(13(17)7-12)20-8-11(9-21)15(19-20)10-3-5-18-6-4-10/h1-9H
InChIKeyVHGCUOIIODNTMG-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.05
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde

1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde (PubChem CID 43324340) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
PubChem CID43324340
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccncc1
InChIInChI=1S/C15H9Cl2N3O/c16-12-1-2-14(13(17)7-12)20-8-11(9-21)15(19-20)10-3-5-18-6-4-10/h1-9H
InChIKeyVHGCUOIIODNTMG-UHFFFAOYSA-N
XLogP4.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chlorothiophen-3-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 106758401
1-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141336
1-(2,4-dichlorophenyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 43324338
1-[(4-chlorophenyl)methyl]-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 63278646
3-(2,4-dichlorophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531822
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
1-propan-2-yl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61266268
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43543075
1-(2,4-difluorophenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 3862147
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde (CID 43324340) is 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Cl)cc2Cl)nc1-c1ccncc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde?
The InChIKey is VHGCUOIIODNTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-12-1-2-14(13(17)7-12)20-8-11(9-21)15(19-20)10-3-5-18-6-4-10/h1-9H.
What are the key properties of 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde?
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde has a molecular weight of 318.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43324340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).