3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole

C14H12N2OS — CID 18175413

IUPAC3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C14H12N2OS/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-9H,1H3,(H,15,16)
InChIKeyFTKRIPBODYEXTC-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.81
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole

3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole (PubChem CID 18175413) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
PubChem CID18175413
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C14H12N2OS/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-9H,1H3,(H,15,16)
InChIKeyFTKRIPBODYEXTC-UHFFFAOYSA-N
XLogP3.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole (CID 18175413) is 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole is COc1ccc(-c2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is FTKRIPBODYEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-9H,1H3,(H,15,16).
What are the key properties of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole?
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 256.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 18175413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).