5-(2-thiophen-3-ylethenyl)-1H-pyrazole

C9H8N2S — CID 66979124

IUPAC5-(2-thiophen-3-ylethenyl)-1H-pyrazole
SMILESC(=Cc1ccn[nH]1)c1ccsc1
InChIInChI=1S/C9H8N2S/c1(8-4-6-12-7-8)2-9-3-5-10-11-9/h1-7H,(H,10,11)
InChIKeySVGZNMNPBUUXQL-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.64
Rot. Bonds2

About 5-(2-thiophen-3-ylethenyl)-1H-pyrazole

5-(2-thiophen-3-ylethenyl)-1H-pyrazole (PubChem CID 66979124) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-(2-thiophen-3-ylethenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-thiophen-3-ylethenyl)-1H-pyrazole
PubChem CID66979124
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name5-(2-thiophen-3-ylethenyl)-1H-pyrazole
SMILESC(=Cc1ccn[nH]1)c1ccsc1
InChIInChI=1S/C9H8N2S/c1(8-4-6-12-7-8)2-9-3-5-10-11-9/h1-7H,(H,10,11)
InChIKeySVGZNMNPBUUXQL-UHFFFAOYSA-N
XLogP2.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-thiophen-3-ylethenyl)-1H-pyrazole 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 5-(2-thiophen-3-ylethenyl)-1H-pyrazole?
The IUPAC name of 5-(2-thiophen-3-ylethenyl)-1H-pyrazole (CID 66979124) is 5-(2-thiophen-3-ylethenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-thiophen-3-ylethenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-thiophen-3-ylethenyl)-1H-pyrazole is C(=Cc1ccn[nH]1)c1ccsc1.
What is the InChIKey of 5-(2-thiophen-3-ylethenyl)-1H-pyrazole?
The InChIKey is SVGZNMNPBUUXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1(8-4-6-12-7-8)2-9-3-5-10-11-9/h1-7H,(H,10,11).
What are the key properties of 5-(2-thiophen-3-ylethenyl)-1H-pyrazole?
5-(2-thiophen-3-ylethenyl)-1H-pyrazole has a molecular weight of 176.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-ylethenyl)-1H-pyrazole is sourced from PubChem (CID 66979124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).