2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde

C14H11N3OS — CID 123533222

IUPAC2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde
SMILESO=CCc1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C14H11N3OS/c18-8-5-11-1-2-13(19-11)14-12(9-16-17-14)10-3-6-15-7-4-10/h1-4,6-9H,5H2,(H,16,17)
InChIKeyUTHZVVIZDPYYIR-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.94
Rot. Bonds4

About 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde

2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde (PubChem CID 123533222) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde
PubChem CID123533222
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde
SMILESO=CCc1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C14H11N3OS/c18-8-5-11-1-2-13(19-11)14-12(9-16-17-14)10-3-6-15-7-4-10/h1-4,6-9H,5H2,(H,16,17)
InChIKeyUTHZVVIZDPYYIR-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.94
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 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde?
The IUPAC name of 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde (CID 123533222) is 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde?
The canonical SMILES for 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde is O=CCc1ccc(-c2[nH]ncc2-c2ccncc2)s1.
What is the InChIKey of 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde?
The InChIKey is UTHZVVIZDPYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-8-5-11-1-2-13(19-11)14-12(9-16-17-14)10-3-6-15-7-4-10/h1-4,6-9H,5H2,(H,16,17).
What are the key properties of 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde?
2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde has a molecular weight of 269.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-pyridin-4-yl-1H-pyrazol-5-yl)thiophen-2-yl]acetaldehyde is sourced from PubChem (CID 123533222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).