3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde

C15H24N2O — CID 82697974

IUPAC3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde
SMILESCCc1nn(C2CCC(C)CC2)c(CC)c1C=O
InChIInChI=1S/C15H24N2O/c1-4-14-13(10-18)15(5-2)17(16-14)12-8-6-11(3)7-9-12/h10-12H,4-9H2,1-3H3
InChIKeySRUMTSJHYVHYJE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.57
Rot. Bonds4

About 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde

3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde (PubChem CID 82697974) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde
PubChem CID82697974
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde
SMILESCCc1nn(C2CCC(C)CC2)c(CC)c1C=O
InChIInChI=1S/C15H24N2O/c1-4-14-13(10-18)15(5-2)17(16-14)12-8-6-11(3)7-9-12/h10-12H,4-9H2,1-3H3
InChIKeySRUMTSJHYVHYJE-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde (CID 82697974) is 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde is CCc1nn(C2CCC(C)CC2)c(CC)c1C=O.
What is the InChIKey of 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde?
The InChIKey is SRUMTSJHYVHYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14-13(10-18)15(5-2)17(16-14)12-8-6-11(3)7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde?
3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde has a molecular weight of 248.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 82697974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).