5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde

C13H15N3O — CID 80632719

IUPAC5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1ccc(C(C)C)n1
InChIInChI=1S/C13H15N3O/c1-9(2)12-4-5-16(15-12)13-10(3)6-11(8-17)7-14-13/h4-9H,1-3H3
InChIKeyMAFYDVNFUDZFNC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.51
Rot. Bonds3

About 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde

5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde (PubChem CID 80632719) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
PubChem CID80632719
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1ccc(C(C)C)n1
InChIInChI=1S/C13H15N3O/c1-9(2)12-4-5-16(15-12)13-10(3)6-11(8-17)7-14-13/h4-9H,1-3H3
InChIKeyMAFYDVNFUDZFNC-UHFFFAOYSA-N
XLogP2.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.51
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 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde (CID 80632719) is 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1-n1ccc(C(C)C)n1.
What is the InChIKey of 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde?
The InChIKey is MAFYDVNFUDZFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(2)12-4-5-16(15-12)13-10(3)6-11(8-17)7-14-13/h4-9H,1-3H3.
What are the key properties of 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde?
5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80632719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).