1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole

C14H12N2OS — CID 101180383

IUPAC1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole
SMILESCOc1ccc(-n2nccc2-c2ccsc2)cc1
InChIInChI=1S/C14H12N2OS/c1-17-13-4-2-12(3-5-13)16-14(6-8-15-16)11-7-9-18-10-11/h2-10H,1H3
InChIKeyCJURECGZBBHOLX-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.61
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole

1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole (PubChem CID 101180383) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole
PubChem CID101180383
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole
SMILESCOc1ccc(-n2nccc2-c2ccsc2)cc1
InChIInChI=1S/C14H12N2OS/c1-17-13-4-2-12(3-5-13)16-14(6-8-15-16)11-7-9-18-10-11/h2-10H,1H3
InChIKeyCJURECGZBBHOLX-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole (CID 101180383) is 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole is COc1ccc(-n2nccc2-c2ccsc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole?
The InChIKey is CJURECGZBBHOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-13-4-2-12(3-5-13)16-14(6-8-15-16)11-7-9-18-10-11/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole?
1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole has a molecular weight of 256.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-thiophen-3-ylpyrazole is sourced from PubChem (CID 101180383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).