1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde

C15H14Cl2N2O — CID 61267084

IUPAC1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCC2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-11-5-6-13(14(17)7-11)15-10(9-20)8-19(18-15)12-3-1-2-4-12/h5-9,12H,1-4H2
InChIKeyYXWYTXKOQHMRNX-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.78
Rot. Bonds3

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

1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde (PubChem CID 61267084) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
PubChem CID61267084
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCC2)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-11-5-6-13(14(17)7-11)15-10(9-20)8-19(18-15)12-3-1-2-4-12/h5-9,12H,1-4H2
InChIKeyYXWYTXKOQHMRNX-UHFFFAOYSA-N
XLogP4.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.78
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 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde (CID 61267084) is 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(C2CCCC2)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is YXWYTXKOQHMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-11-5-6-13(14(17)7-11)15-10(9-20)8-19(18-15)12-3-1-2-4-12/h5-9,12H,1-4H2.
What are the key properties of 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde?
1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 309.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 61267084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).