2-(1,5-diphenylpyrazol-4-yl)acetaldehyde

C17H14N2O — CID 54061818

IUPAC2-(1,5-diphenylpyrazol-4-yl)acetaldehyde
SMILESO=CCc1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c20-12-11-15-13-18-19(16-9-5-2-6-10-16)17(15)14-7-3-1-4-8-14/h1-10,12-13H,11H2
InChIKeyMAGFPPVWJZNHTM-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.28
Rot. Bonds4

About 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde

2-(1,5-diphenylpyrazol-4-yl)acetaldehyde (PubChem CID 54061818) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,5-diphenylpyrazol-4-yl)acetaldehyde
PubChem CID54061818
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(1,5-diphenylpyrazol-4-yl)acetaldehyde
SMILESO=CCc1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c20-12-11-15-13-18-19(16-9-5-2-6-10-16)17(15)14-7-3-1-4-8-14/h1-10,12-13H,11H2
InChIKeyMAGFPPVWJZNHTM-UHFFFAOYSA-N
XLogP3.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.28
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-(1,5-diphenylpyrazol-4-yl)acetaldehyde?
The IUPAC name of 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde (CID 54061818) is 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde is O=CCc1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde?
The InChIKey is MAGFPPVWJZNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-12-11-15-13-18-19(16-9-5-2-6-10-16)17(15)14-7-3-1-4-8-14/h1-10,12-13H,11H2.
What are the key properties of 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde?
2-(1,5-diphenylpyrazol-4-yl)acetaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diphenylpyrazol-4-yl)acetaldehyde is sourced from PubChem (CID 54061818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).