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

C14H12N2S — CID 142452070

IUPAC3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
SMILESCc1cc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C14H12N2S/c1-11-10-13(14-8-5-9-17-14)16(15-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyPOXPKHSPEFVWSZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds2

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

3-methyl-1-phenyl-5-thiophen-2-ylpyrazole (PubChem CID 142452070) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
PubChem CID142452070
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
SMILESCc1cc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C14H12N2S/c1-11-10-13(14-8-5-9-17-14)16(15-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyPOXPKHSPEFVWSZ-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole (CID 142452070) is 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole is Cc1cc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
The InChIKey is POXPKHSPEFVWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-11-10-13(14-8-5-9-17-14)16(15-11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole?
3-methyl-1-phenyl-5-thiophen-2-ylpyrazole has a molecular weight of 240.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 142452070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).