1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole

C16H16N2OS — CID 56562080

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole
SMILESCc1ccccc1OCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H16N2OS/c1-13-4-2-3-5-16(13)19-10-9-18-8-6-15(17-18)14-7-11-20-12-14/h2-8,11-12H,9-10H2,1H3
InChIKeyVYFGHHGKVBLDQH-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.00
Rot. Bonds5

About 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole

1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole (PubChem CID 56562080) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole
PubChem CID56562080
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole
SMILESCc1ccccc1OCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C16H16N2OS/c1-13-4-2-3-5-16(13)19-10-9-18-8-6-15(17-18)14-7-11-20-12-14/h2-8,11-12H,9-10H2,1H3
InChIKeyVYFGHHGKVBLDQH-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole (CID 56562080) is 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole is Cc1ccccc1OCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole?
The InChIKey is VYFGHHGKVBLDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-13-4-2-3-5-16(13)19-10-9-18-8-6-15(17-18)14-7-11-20-12-14/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole?
1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole has a molecular weight of 284.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-thiophen-3-ylpyrazole is sourced from PubChem (CID 56562080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).