3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde

C10H4Cl4N2O — CID 87406531

IUPAC3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nn(-c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C10H4Cl4N2O/c11-5-1-2-8(7(12)3-5)16-10(14)6(4-17)9(13)15-16/h1-4H
InChIKeyGRRGKBOTITUZHO-UHFFFAOYSA-N
MW309.97 g/mol
LogP4.30
Rot. Bonds2

About 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde

3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde (PubChem CID 87406531) has the molecular formula C10H4Cl4N2O and a molecular weight of 309.97 g/mol. Its IUPAC name is 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
PubChem CID87406531
Molecular FormulaC10H4Cl4N2O
Molecular Weight309.97 g/mol
Exact Mass307.91
IUPAC Name3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nn(-c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C10H4Cl4N2O/c11-5-1-2-8(7(12)3-5)16-10(14)6(4-17)9(13)15-16/h1-4H
InChIKeyGRRGKBOTITUZHO-UHFFFAOYSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.97
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde (CID 87406531) is 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde is O=Cc1c(Cl)nn(-c2ccc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is GRRGKBOTITUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4N2O/c11-5-1-2-8(7(12)3-5)16-10(14)6(4-17)9(13)15-16/h1-4H.
What are the key properties of 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 309.97 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 87406531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).