5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde

C8H6N2OS — CID 62091894

IUPAC5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1-c1ccsc1
InChIInChI=1S/C8H6N2OS/c11-4-7-3-9-10-8(7)6-1-2-12-5-6/h1-5H,(H,9,10)
InChIKeyLVHIWROIPVTAQF-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.95
Rot. Bonds2

About 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde

5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde (PubChem CID 62091894) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde
PubChem CID62091894
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1-c1ccsc1
InChIInChI=1S/C8H6N2OS/c11-4-7-3-9-10-8(7)6-1-2-12-5-6/h1-5H,(H,9,10)
InChIKeyLVHIWROIPVTAQF-UHFFFAOYSA-N
XLogP1.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde (CID 62091894) is 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1-c1ccsc1.
What is the InChIKey of 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde?
The InChIKey is LVHIWROIPVTAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-4-7-3-9-10-8(7)6-1-2-12-5-6/h1-5H,(H,9,10).
What are the key properties of 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde?
5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde has a molecular weight of 178.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 62091894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).