3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde

C17H16N2O — CID 61266472

IUPAC3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H16N2O/c1-2-10-19-11-14(12-20)17(18-19)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12H,2,10H2,1H3
InChIKeyOGTWFIRUNQJSLM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.93
Rot. Bonds4

About 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde

3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde (PubChem CID 61266472) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde
PubChem CID61266472
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1cc(C=O)c(-c2cccc3ccccc23)n1
InChIInChI=1S/C17H16N2O/c1-2-10-19-11-14(12-20)17(18-19)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12H,2,10H2,1H3
InChIKeyOGTWFIRUNQJSLM-UHFFFAOYSA-N
XLogP3.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.93
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-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde (CID 61266472) is 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde is CCCn1cc(C=O)c(-c2cccc3ccccc23)n1.
What is the InChIKey of 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde?
The InChIKey is OGTWFIRUNQJSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-10-19-11-14(12-20)17(18-19)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde?
3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde has a molecular weight of 264.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61266472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).