5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde

C11H11N3O2 — CID 96610735

IUPAC5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1CCOc1cccnc1
InChIInChI=1S/C11H11N3O2/c15-8-9-6-13-14-11(9)3-5-16-10-2-1-4-12-7-10/h1-2,4,6-8H,3,5H2,(H,13,14)
InChIKeyZBITUEBGCRSUJP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.24
Rot. Bonds5

About 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde

5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 96610735) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde
PubChem CID96610735
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1CCOc1cccnc1
InChIInChI=1S/C11H11N3O2/c15-8-9-6-13-14-11(9)3-5-16-10-2-1-4-12-7-10/h1-2,4,6-8H,3,5H2,(H,13,14)
InChIKeyZBITUEBGCRSUJP-UHFFFAOYSA-N
XLogP1.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
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-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde (CID 96610735) is 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1CCOc1cccnc1.
What is the InChIKey of 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is ZBITUEBGCRSUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-8-9-6-13-14-11(9)3-5-16-10-2-1-4-12-7-10/h1-2,4,6-8H,3,5H2,(H,13,14).
What are the key properties of 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde?
5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 217.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-3-yloxyethyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 96610735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).