5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid

C8H6N2O2S — CID 58110193

IUPAC5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2cn[nH]c2)c1
InChIInChI=1S/C8H6N2O2S/c11-8(12)5-1-7(13-4-5)6-2-9-10-3-6/h1-4H,(H,9,10)(H,11,12)
InChIKeyOIDIBOYMWXTAOH-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.84
Rot. Bonds2

About 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid

5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid (PubChem CID 58110193) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid
PubChem CID58110193
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2cn[nH]c2)c1
InChIInChI=1S/C8H6N2O2S/c11-8(12)5-1-7(13-4-5)6-2-9-10-3-6/h1-4H,(H,9,10)(H,11,12)
InChIKeyOIDIBOYMWXTAOH-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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid (CID 58110193) is 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid is O=C(O)c1csc(-c2cn[nH]c2)c1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid?
The InChIKey is OIDIBOYMWXTAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-8(12)5-1-7(13-4-5)6-2-9-10-3-6/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid?
5-(1H-pyrazol-4-yl)thiophene-3-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-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58110193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).