3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde

C18H22N2O — CID 43805609

IUPAC3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
SMILESCc1cc(C)cc(-n2cc(C=O)c(C3CCCCC3)n2)c1
InChIInChI=1S/C18H22N2O/c1-13-8-14(2)10-17(9-13)20-11-16(12-21)18(19-20)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyFYRKJLVFLHXVEX-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.35
Rot. Bonds3

About 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde

3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde (PubChem CID 43805609) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
PubChem CID43805609
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde
SMILESCc1cc(C)cc(-n2cc(C=O)c(C3CCCCC3)n2)c1
InChIInChI=1S/C18H22N2O/c1-13-8-14(2)10-17(9-13)20-11-16(12-21)18(19-20)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyFYRKJLVFLHXVEX-UHFFFAOYSA-N
XLogP4.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.35
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-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde (CID 43805609) is 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde is Cc1cc(C)cc(-n2cc(C=O)c(C3CCCCC3)n2)c1.
What is the InChIKey of 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is FYRKJLVFLHXVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-14(2)10-17(9-13)20-11-16(12-21)18(19-20)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde?
3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 282.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,5-dimethylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43805609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).