3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole

C15H14N2S — CID 167094237

IUPAC3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole
SMILESCCc1cc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N2S/c1-2-12-11-14(15-9-6-10-18-15)17(16-12)13-7-4-3-5-8-13/h3-11H,2H2,1H3
InChIKeyKMFOGAIIKCLJCD-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.16
Rot. Bonds3

About 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole

3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole (PubChem CID 167094237) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole
PubChem CID167094237
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole
SMILESCCc1cc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N2S/c1-2-12-11-14(15-9-6-10-18-15)17(16-12)13-7-4-3-5-8-13/h3-11H,2H2,1H3
InChIKeyKMFOGAIIKCLJCD-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole (CID 167094237) is 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole is CCc1cc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole?
The InChIKey is KMFOGAIIKCLJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-12-11-14(15-9-6-10-18-15)17(16-12)13-7-4-3-5-8-13/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole?
3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole has a molecular weight of 254.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 167094237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).