3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde

C11H11N3O — CID 22054403

IUPAC3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccn2)c(C)c1C=O
InChIInChI=1S/C11H11N3O/c1-8-10(7-15)9(2)14(13-8)11-5-3-4-6-12-11/h3-7H,1-2H3
InChIKeyMEKAOWILVRNTKP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.70
Rot. Bonds2

About 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde

3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 22054403) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID22054403
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccccn2)c(C)c1C=O
InChIInChI=1S/C11H11N3O/c1-8-10(7-15)9(2)14(13-8)11-5-3-4-6-12-11/h3-7H,1-2H3
InChIKeyMEKAOWILVRNTKP-UHFFFAOYSA-N
XLogP1.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.70
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 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde (CID 22054403) is 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde is Cc1nn(-c2ccccn2)c(C)c1C=O.
What is the InChIKey of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is MEKAOWILVRNTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-10(7-15)9(2)14(13-8)11-5-3-4-6-12-11/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde?
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 22054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).