4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid

C9H8N2O3S — CID 117233269

IUPAC4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1Cc1cccs1
InChIInChI=1S/C9H8N2O3S/c12-7-4-10-11(8(7)9(13)14)5-6-2-1-3-15-6/h1-4,12H,5H2,(H,13,14)
InChIKeyRXWVVBYCRKIJHJ-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.40
Rot. Bonds3

About 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid

4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid (PubChem CID 117233269) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
PubChem CID117233269
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1Cc1cccs1
InChIInChI=1S/C9H8N2O3S/c12-7-4-10-11(8(7)9(13)14)5-6-2-1-3-15-6/h1-4,12H,5H2,(H,13,14)
InChIKeyRXWVVBYCRKIJHJ-UHFFFAOYSA-N
XLogP1.40
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
CID 60780076
4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232672
3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
CID 102604724
4-oxo-3-(thiophen-2-ylmethyl)phthalazine-1-carboxylic acid
CID 43565120
5-phenyl-1-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 102642594
1-[3-(thiophen-2-ylmethyl)triazol-4-yl]ethanone
CID 130566858
4-amino-1-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65357724
4-[6-oxo-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 135634206
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19623779
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78872672

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid (CID 117233269) is 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid is O=C(O)c1c(O)cnn1Cc1cccs1.
What is the InChIKey of 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid?
The InChIKey is RXWVVBYCRKIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-7-4-10-11(8(7)9(13)14)5-6-2-1-3-15-6/h1-4,12H,5H2,(H,13,14).
What are the key properties of 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid?
4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117233269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).