2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde

C11H18N2O — CID 86641649

IUPAC2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde
SMILESCCc1nn(CC)c(CC)c1CC=O
InChIInChI=1S/C11H18N2O/c1-4-10-9(7-8-14)11(5-2)13(6-3)12-10/h8H,4-7H2,1-3H3
InChIKeyQZLZXQYVDHHAMU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.77
Rot. Bonds5

About 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde

2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde (PubChem CID 86641649) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde
PubChem CID86641649
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde
SMILESCCc1nn(CC)c(CC)c1CC=O
InChIInChI=1S/C11H18N2O/c1-4-10-9(7-8-14)11(5-2)13(6-3)12-10/h8H,4-7H2,1-3H3
InChIKeyQZLZXQYVDHHAMU-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.77
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 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde?
The IUPAC name of 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde (CID 86641649) is 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde is CCc1nn(CC)c(CC)c1CC=O.
What is the InChIKey of 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde?
The InChIKey is QZLZXQYVDHHAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-10-9(7-8-14)11(5-2)13(6-3)12-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde?
2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde has a molecular weight of 194.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triethylpyrazol-4-yl)acetaldehyde is sourced from PubChem (CID 86641649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).