1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde

C16H26N2O — CID 82697766

IUPAC1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde
SMILESCCc1nn(C2CC(C)CC(C)C2)c(CC)c1C=O
InChIInChI=1S/C16H26N2O/c1-5-15-14(10-19)16(6-2)18(17-15)13-8-11(3)7-12(4)9-13/h10-13H,5-9H2,1-4H3
InChIKeyLNDVDGYRIMXZQK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.82
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde

1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde (PubChem CID 82697766) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde
PubChem CID82697766
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde
SMILESCCc1nn(C2CC(C)CC(C)C2)c(CC)c1C=O
InChIInChI=1S/C16H26N2O/c1-5-15-14(10-19)16(6-2)18(17-15)13-8-11(3)7-12(4)9-13/h10-13H,5-9H2,1-4H3
InChIKeyLNDVDGYRIMXZQK-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.82
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-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde (CID 82697766) is 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde is CCc1nn(C2CC(C)CC(C)C2)c(CC)c1C=O.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde?
The InChIKey is LNDVDGYRIMXZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-15-14(10-19)16(6-2)18(17-15)13-8-11(3)7-12(4)9-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde?
1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde has a molecular weight of 262.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 82697766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).