1-(2-methylthiophen-3-yl)-3-phenylpyrazole

C14H12N2S — CID 59804975

IUPAC1-(2-methylthiophen-3-yl)-3-phenylpyrazole
SMILESCc1sccc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C14H12N2S/c1-11-14(8-10-17-11)16-9-7-13(15-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyXTANWHHXRCQMQR-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds2

About 1-(2-methylthiophen-3-yl)-3-phenylpyrazole

1-(2-methylthiophen-3-yl)-3-phenylpyrazole (PubChem CID 59804975) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-3-phenylpyrazole
PubChem CID59804975
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-(2-methylthiophen-3-yl)-3-phenylpyrazole
SMILESCc1sccc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C14H12N2S/c1-11-14(8-10-17-11)16-9-7-13(15-16)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyXTANWHHXRCQMQR-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 1-(2-methylthiophen-3-yl)-3-phenylpyrazole?
The IUPAC name of 1-(2-methylthiophen-3-yl)-3-phenylpyrazole (CID 59804975) is 1-(2-methylthiophen-3-yl)-3-phenylpyrazole.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-3-phenylpyrazole?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-3-phenylpyrazole is Cc1sccc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-3-phenylpyrazole?
The InChIKey is XTANWHHXRCQMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-11-14(8-10-17-11)16-9-7-13(15-16)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-3-phenylpyrazole?
1-(2-methylthiophen-3-yl)-3-phenylpyrazole 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 1-(2-methylthiophen-3-yl)-3-phenylpyrazole is sourced from PubChem (CID 59804975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).