3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid

C11H10N2O2S — CID 76918091

IUPAC3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccsc1Cn1cccn1
InChIInChI=1S/C11H10N2O2S/c14-11(15)3-2-9-4-7-16-10(9)8-13-6-1-5-12-13/h1-7H,8H2,(H,14,15)
InChIKeyGEVGBPSCPOTCLP-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.09
Rot. Bonds4

About 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid

3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid (PubChem CID 76918091) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
PubChem CID76918091
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccsc1Cn1cccn1
InChIInChI=1S/C11H10N2O2S/c14-11(15)3-2-9-4-7-16-10(9)8-13-6-1-5-12-13/h1-7H,8H2,(H,14,15)
InChIKeyGEVGBPSCPOTCLP-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic 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

3-[2-[(4-chloropyrazol-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918154
3-[2-[(2-oxo-1-pyridinyl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918043
(E)-3-[2-[(4-ethoxypyrazol-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 114274286
3-[2-(indazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
CID 76936684
3-[2-(hydroxymethyl)thiophen-3-yl]prop-2-enoic acid
CID 76918255
3-[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918280
(E)-3-[2-[(2-oxo-3-propylimidazol-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 80583215
3-[2-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918131
(E)-3-[2-fluoro-5-(pyrazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 94233075
3-[2-[(2,7-dioxoazepan-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76917951
(E)-3-[4-(2-naphthalen-2-ylethoxy)-5-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
CID 10135862
1-[(3-fluorothiophen-2-yl)methyl]pyrazole
CID 141287281

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid?
The IUPAC name of 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid (CID 76918091) is 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid is O=C(O)C=Cc1ccsc1Cn1cccn1.
What is the InChIKey of 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid?
The InChIKey is GEVGBPSCPOTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(15)3-2-9-4-7-16-10(9)8-13-6-1-5-12-13/h1-7H,8H2,(H,14,15).
What are the key properties of 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid?
3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid has a molecular weight of 234.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid is sourced from PubChem (CID 76918091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).