5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid

C8H6N2O2S — CID 62091546

IUPAC5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccsc1
InChIInChI=1S/C8H6N2O2S/c11-8(12)6-3-9-10-7(6)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKeyPMLVKFROEDWYMK-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.84
Rot. Bonds2

About 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid

5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid (PubChem CID 62091546) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid
PubChem CID62091546
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1-c1ccsc1
InChIInChI=1S/C8H6N2O2S/c11-8(12)6-3-9-10-7(6)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKeyPMLVKFROEDWYMK-UHFFFAOYSA-N
XLogP1.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid 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-carboxylic acid?
The IUPAC name of 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid (CID 62091546) is 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1-c1ccsc1.
What is the InChIKey of 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid?
The InChIKey is PMLVKFROEDWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-8(12)6-3-9-10-7(6)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid?
5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62091546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).