5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole

C15H10N2S — CID 2822152

IUPAC5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole
SMILESC(#Cc1ccc(-c2ccn[nH]2)s1)c1ccccc1
InChIInChI=1S/C15H10N2S/c1-2-4-12(5-3-1)6-7-13-8-9-15(18-13)14-10-11-16-17-14/h1-5,8-11H,(H,16,17)
InChIKeyQIUICZSMENMERZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP3.54
Rot. Bonds1

About 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole

5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole (PubChem CID 2822152) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole
PubChem CID2822152
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole
SMILESC(#Cc1ccc(-c2ccn[nH]2)s1)c1ccccc1
InChIInChI=1S/C15H10N2S/c1-2-4-12(5-3-1)6-7-13-8-9-15(18-13)14-10-11-16-17-14/h1-5,8-11H,(H,16,17)
InChIKeyQIUICZSMENMERZ-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole?
The IUPAC name of 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole (CID 2822152) is 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole is C(#Cc1ccc(-c2ccn[nH]2)s1)c1ccccc1.
What is the InChIKey of 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole?
The InChIKey is QIUICZSMENMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-2-4-12(5-3-1)6-7-13-8-9-15(18-13)14-10-11-16-17-14/h1-5,8-11H,(H,16,17).
What are the key properties of 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole?
5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole has a molecular weight of 250.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-phenylethynyl)thiophen-2-yl]-1H-pyrazole is sourced from PubChem (CID 2822152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).