1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde

C16H16Cl2N2O — CID 63566798

IUPAC1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCCC2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c17-14-7-6-11(8-15(14)18)16-12(10-21)9-20(19-16)13-4-2-1-3-5-13/h6-10,13H,1-5H2
InChIKeyUJKARIKCGIIVTL-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.17
Rot. Bonds3

About 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde

1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde (PubChem CID 63566798) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde
PubChem CID63566798
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(C2CCCCC2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c17-14-7-6-11(8-15(14)18)16-12(10-21)9-20(19-16)13-4-2-1-3-5-13/h6-10,13H,1-5H2
InChIKeyUJKARIKCGIIVTL-UHFFFAOYSA-N
XLogP5.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.17
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-cyclohexyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 61270868
1-cycloheptyl-3-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 61270878
1-cyclopentyl-3-(2,4-dichlorophenyl)pyrazole-4-carbaldehyde
CID 61267084
1-cyclohexyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61271244
1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758457
1-cyclopentyl-3-iodopyrazole-4-carbaldehyde
CID 146680336
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)pyrazole-4-carbaldehyde
CID 63864957
3-(3-chlorophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
CID 61273228
3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 11069064
3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145825
1-cyclohexyl-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679178
1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine
CID 83208290

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde (CID 63566798) is 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde is O=Cc1cn(C2CCCCC2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde?
The InChIKey is UJKARIKCGIIVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-14-7-6-11(8-15(14)18)16-12(10-21)9-20(19-16)13-4-2-1-3-5-13/h6-10,13H,1-5H2.
What are the key properties of 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde?
1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde has a molecular weight of 323.22 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,4-dichlorophenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 63566798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).