2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde

C11H11N3O — CID 121213765

IUPAC2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde
SMILESCn1cc(CC=O)c(-c2ccccn2)n1
InChIInChI=1S/C11H11N3O/c1-14-8-9(5-7-15)11(13-14)10-4-2-3-6-12-10/h2-4,6-8H,5H2,1H3
InChIKeySQGFLLIOPWOQAU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.22
Rot. Bonds3

About 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde

2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde (PubChem CID 121213765) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde
PubChem CID121213765
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde
SMILESCn1cc(CC=O)c(-c2ccccn2)n1
InChIInChI=1S/C11H11N3O/c1-14-8-9(5-7-15)11(13-14)10-4-2-3-6-12-10/h2-4,6-8H,5H2,1H3
InChIKeySQGFLLIOPWOQAU-UHFFFAOYSA-N
XLogP1.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde?
The IUPAC name of 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde (CID 121213765) is 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde is Cn1cc(CC=O)c(-c2ccccn2)n1.
What is the InChIKey of 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde?
The InChIKey is SQGFLLIOPWOQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-8-9(5-7-15)11(13-14)10-4-2-3-6-12-10/h2-4,6-8H,5H2,1H3.
What are the key properties of 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde?
2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde is sourced from PubChem (CID 121213765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).