3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde

C17H15N3O — CID 43324089

IUPAC3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESCc1ccc(C)c(-c2nn(-c3ccccn3)cc2C=O)c1
InChIInChI=1S/C17H15N3O/c1-12-6-7-13(2)15(9-12)17-14(11-21)10-20(19-17)16-5-3-4-8-18-16/h3-11H,1-2H3
InChIKeyULDOOTJYQFBXJG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.36
Rot. Bonds3

About 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde

3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 43324089) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID43324089
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESCc1ccc(C)c(-c2nn(-c3ccccn3)cc2C=O)c1
InChIInChI=1S/C17H15N3O/c1-12-6-7-13(2)15(9-12)17-14(11-21)10-20(19-17)16-5-3-4-8-18-16/h3-11H,1-2H3
InChIKeyULDOOTJYQFBXJG-UHFFFAOYSA-N
XLogP3.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.36
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-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde (CID 43324089) is 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde is Cc1ccc(C)c(-c2nn(-c3ccccn3)cc2C=O)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is ULDOOTJYQFBXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-7-13(2)15(9-12)17-14(11-21)10-20(19-17)16-5-3-4-8-18-16/h3-11H,1-2H3.
What are the key properties of 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 277.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 43324089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).