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

C11H5Cl3F2N2O — CID 62879687

IUPAC5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(-c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C11H5Cl3F2N2O/c12-5-1-2-8(7(13)3-5)18-10(14)6(4-19)9(17-18)11(15)16/h1-4,11H
InChIKeyGIKWOJFGUIQNKP-UHFFFAOYSA-N
MW325.53 g/mol
LogP4.58
Rot. Bonds3

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

5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 62879687) has the molecular formula C11H5Cl3F2N2O and a molecular weight of 325.53 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde
PubChem CID62879687
Molecular FormulaC11H5Cl3F2N2O
Molecular Weight325.53 g/mol
Exact Mass323.94
IUPAC Name5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(-c2ccc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C11H5Cl3F2N2O/c12-5-1-2-8(7(13)3-5)18-10(14)6(4-19)9(17-18)11(15)16/h1-4,11H
InChIKeyGIKWOJFGUIQNKP-UHFFFAOYSA-N
XLogP4.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 54.58
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 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde (CID 62879687) is 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde is O=Cc1c(C(F)F)nn(-c2ccc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is GIKWOJFGUIQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3F2N2O/c12-5-1-2-8(7(13)3-5)18-10(14)6(4-19)9(17-18)11(15)16/h1-4,11H.
What are the key properties of 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde?
5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 325.53 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62879687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).