3-pyrazol-1-yl-3-pyridin-4-ylpropanal

C11H11N3O — CID 90875899

IUPAC3-pyrazol-1-yl-3-pyridin-4-ylpropanal
SMILESO=CCC(c1ccncc1)n1cccn1
InChIInChI=1S/C11H11N3O/c15-9-4-11(14-8-1-5-13-14)10-2-6-12-7-3-10/h1-3,5-9,11H,4H2
InChIKeyZRGMRHIBWGFMKP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.46
Rot. Bonds4

About 3-pyrazol-1-yl-3-pyridin-4-ylpropanal

3-pyrazol-1-yl-3-pyridin-4-ylpropanal (PubChem CID 90875899) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-pyrazol-1-yl-3-pyridin-4-ylpropanal.

Molecular Properties

Compound Name3-pyrazol-1-yl-3-pyridin-4-ylpropanal
PubChem CID90875899
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-pyrazol-1-yl-3-pyridin-4-ylpropanal
SMILESO=CCC(c1ccncc1)n1cccn1
InChIInChI=1S/C11H11N3O/c15-9-4-11(14-8-1-5-13-14)10-2-6-12-7-3-10/h1-3,5-9,11H,4H2
InChIKeyZRGMRHIBWGFMKP-UHFFFAOYSA-N
XLogP1.46
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.46
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-pyrazol-1-yl-3-pyridin-4-ylpropanal?
The IUPAC name of 3-pyrazol-1-yl-3-pyridin-4-ylpropanal (CID 90875899) is 3-pyrazol-1-yl-3-pyridin-4-ylpropanal.
What is the SMILES notation for 3-pyrazol-1-yl-3-pyridin-4-ylpropanal?
The canonical SMILES for 3-pyrazol-1-yl-3-pyridin-4-ylpropanal is O=CCC(c1ccncc1)n1cccn1.
What is the InChIKey of 3-pyrazol-1-yl-3-pyridin-4-ylpropanal?
The InChIKey is ZRGMRHIBWGFMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-9-4-11(14-8-1-5-13-14)10-2-6-12-7-3-10/h1-3,5-9,11H,4H2.
What are the key properties of 3-pyrazol-1-yl-3-pyridin-4-ylpropanal?
3-pyrazol-1-yl-3-pyridin-4-ylpropanal has a molecular weight of 201.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-3-pyridin-4-ylpropanal is sourced from PubChem (CID 90875899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).