3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal

C14H17N3O — CID 87496288

IUPAC3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal
SMILESCCCc1cc(CCC=O)n(-c2ccccn2)n1
InChIInChI=1S/C14H17N3O/c1-2-6-12-11-13(7-5-10-18)17(16-12)14-8-3-4-9-15-14/h3-4,8-11H,2,5-7H2,1H3
InChIKeyUWMBUENKRVNCSB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.35
Rot. Bonds6

About 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal

3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal (PubChem CID 87496288) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal.

Molecular Properties

Compound Name3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal
PubChem CID87496288
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal
SMILESCCCc1cc(CCC=O)n(-c2ccccn2)n1
InChIInChI=1S/C14H17N3O/c1-2-6-12-11-13(7-5-10-18)17(16-12)14-8-3-4-9-15-14/h3-4,8-11H,2,5-7H2,1H3
InChIKeyUWMBUENKRVNCSB-UHFFFAOYSA-N
XLogP2.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.35
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-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal?
The IUPAC name of 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal (CID 87496288) is 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal.
What is the SMILES notation for 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal?
The canonical SMILES for 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal is CCCc1cc(CCC=O)n(-c2ccccn2)n1.
What is the InChIKey of 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal?
The InChIKey is UWMBUENKRVNCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-6-12-11-13(7-5-10-18)17(16-12)14-8-3-4-9-15-14/h3-4,8-11H,2,5-7H2,1H3.
What are the key properties of 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal?
3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal has a molecular weight of 243.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1-pyridin-2-ylpyrazol-5-yl)propanal is sourced from PubChem (CID 87496288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).