2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid

C9H8N2O2S — CID 60780076

IUPAC2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1Cc1cccs1
InChIInChI=1S/C9H8N2O2S/c12-9(13)8-3-4-10-11(8)6-7-2-1-5-14-7/h1-5H,6H2,(H,12,13)
InChIKeyABLOKMINZFEQCC-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.69
Rot. Bonds3

About 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid

2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 60780076) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID60780076
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1Cc1cccs1
InChIInChI=1S/C9H8N2O2S/c12-9(13)8-3-4-10-11(8)6-7-2-1-5-14-7/h1-5H,6H2,(H,12,13)
InChIKeyABLOKMINZFEQCC-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thiophen-2-ylmethyl)pyrazole-3-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

Related Compounds

4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117233269
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
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
2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19485695
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
2-propylpyrazole-3-carboxylic acid
CID 7017775

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid (CID 60780076) is 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1Cc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is ABLOKMINZFEQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)8-3-4-10-11(8)6-7-2-1-5-14-7/h1-5H,6H2,(H,12,13).
What are the key properties of 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid?
2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 60780076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).