1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid

C10H10N2O3S — CID 121211165

IUPAC1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)nn1CCO
InChIInChI=1S/C10H10N2O3S/c13-3-2-12-9(10(14)15)5-8(11-12)7-1-4-16-6-7/h1,4-6,13H,2-3H2,(H,14,15)
InChIKeySGVVAMMYSBQUJA-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid

1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid (PubChem CID 121211165) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
PubChem CID121211165
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccsc2)nn1CCO
InChIInChI=1S/C10H10N2O3S/c13-3-2-12-9(10(14)15)5-8(11-12)7-1-4-16-6-7/h1,4-6,13H,2-3H2,(H,14,15)
InChIKeySGVVAMMYSBQUJA-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylic acid
CID 812092
Ethyl 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2421472
2-Phenyl-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid
CID 2769603
5-[2-(4-Fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 91917143
1-Methyl-5-(thien-2-yl)-1H-pyrazole-3-carboxylic acid
CID 7537648
1-Ethyl-3-Phenyl-1H-Pyrazole-5-Carboxylic Acid
CID 21766314
1-(2-Methylphenyl)-3-(2-thienyl)-1H-pyrazole-5-carboxylic acid
CID 2769607
1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 24271032
5-(2-Hydroxy-2-phenylethyl)-2-(thiophen-2-YL)-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91917142
5-Thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 13426021
1-(4-fluorophenyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 16227982
5-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 22288386

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid (CID 121211165) is 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccsc2)nn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid?
The InChIKey is SGVVAMMYSBQUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-3-2-12-9(10(14)15)5-8(11-12)7-1-4-16-6-7/h1,4-6,13H,2-3H2,(H,14,15).
What are the key properties of 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid?
1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-thiophen-3-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 121211165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).