2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde

C11H11N3O — CID 121211744

IUPAC2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
SMILESCc1cc(-c2ccccn2)nn1CC=O
InChIInChI=1S/C11H11N3O/c1-9-8-11(13-14(9)6-7-15)10-4-2-3-5-12-10/h2-5,7-8H,6H2,1H3
InChIKeyLXUBWLZAKHAWCB-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.45
Rot. Bonds3

About 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde

2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde (PubChem CID 121211744) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
PubChem CID121211744
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde
SMILESCc1cc(-c2ccccn2)nn1CC=O
InChIInChI=1S/C11H11N3O/c1-9-8-11(13-14(9)6-7-15)10-4-2-3-5-12-10/h2-5,7-8H,6H2,1H3
InChIKeyLXUBWLZAKHAWCB-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)butan-2-amine
CID 141089095
2-[5-methyl-1-(thiophen-2-ylmethyl)pyrazol-3-yl]pyridine
CID 118410559
2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine
CID 163461668
1-prop-2-enyl-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 84761183
2-(3-amino-5-methylpyrazol-1-yl)acetaldehyde
CID 135395095
propane;2-pyridin-2-ylpyridine
CID 158168510
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
1-(1-butyl-3-pyridin-2-ylpyrazol-5-yl)ethanone
CID 174154263
2-[1-[(2-methylphenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrimidine
CID 137444663
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
2-ethyl-3-oxo-6-pyridin-2-ylpyridazine-4-carbonyl chloride
CID 82445374

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde (CID 121211744) is 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde is Cc1cc(-c2ccccn2)nn1CC=O.
What is the InChIKey of 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde?
The InChIKey is LXUBWLZAKHAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9-8-11(13-14(9)6-7-15)10-4-2-3-5-12-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde?
2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 121211744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).