4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione

C10H14N4S — CID 81335650

IUPAC4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCn1cccn1
InChIInChI=1S/C10H14N4S/c1-2-9-8-11-10(15)14(9)7-6-13-5-3-4-12-13/h3-5,8H,2,6-7H2,1H3,(H,11,15)
InChIKeyQCYPKNFMUBQBQK-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.00
Rot. Bonds4

About 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione

4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione (PubChem CID 81335650) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione
PubChem CID81335650
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCn1cccn1
InChIInChI=1S/C10H14N4S/c1-2-9-8-11-10(15)14(9)7-6-13-5-3-4-12-13/h3-5,8H,2,6-7H2,1H3,(H,11,15)
InChIKeyQCYPKNFMUBQBQK-UHFFFAOYSA-N
XLogP2.00
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione 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 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione (CID 81335650) is 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1CCn1cccn1.
What is the InChIKey of 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione?
The InChIKey is QCYPKNFMUBQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-9-8-11-10(15)14(9)7-6-13-5-3-4-12-13/h3-5,8H,2,6-7H2,1H3,(H,11,15).
What are the key properties of 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione?
4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione has a molecular weight of 222.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).