1-phenyl-3-thiophen-2-ylpyrazole

C13H10N2S — CID 12026713

IUPAC1-phenyl-3-thiophen-2-ylpyrazole
SMILESc1ccc(-n2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-11(6-3-1)15-9-8-12(14-15)13-7-4-10-16-13/h1-10H
InChIKeyGNNKYEUYWBUEFD-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.60
Rot. Bonds2

About 1-phenyl-3-thiophen-2-ylpyrazole

1-phenyl-3-thiophen-2-ylpyrazole (PubChem CID 12026713) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-phenyl-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-phenyl-3-thiophen-2-ylpyrazole
PubChem CID12026713
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name1-phenyl-3-thiophen-2-ylpyrazole
SMILESc1ccc(-n2ccc(-c3cccs3)n2)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-11(6-3-1)15-9-8-12(14-15)13-7-4-10-16-13/h1-10H
InChIKeyGNNKYEUYWBUEFD-UHFFFAOYSA-N
XLogP3.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-thiophen-2-ylpyrazole 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 1-phenyl-3-thiophen-2-ylpyrazole?
The IUPAC name of 1-phenyl-3-thiophen-2-ylpyrazole (CID 12026713) is 1-phenyl-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-phenyl-3-thiophen-2-ylpyrazole?
The canonical SMILES for 1-phenyl-3-thiophen-2-ylpyrazole is c1ccc(-n2ccc(-c3cccs3)n2)cc1.
What is the InChIKey of 1-phenyl-3-thiophen-2-ylpyrazole?
The InChIKey is GNNKYEUYWBUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-5-11(6-3-1)15-9-8-12(14-15)13-7-4-10-16-13/h1-10H.
What are the key properties of 1-phenyl-3-thiophen-2-ylpyrazole?
1-phenyl-3-thiophen-2-ylpyrazole has a molecular weight of 226.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 12026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).