4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione

C10H14N4S — CID 81335791

IUPAC4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1Cc1cnn(C)c1
InChIInChI=1S/C10H14N4S/c1-3-9-5-11-10(15)14(9)7-8-4-12-13(2)6-8/h4-6H,3,7H2,1-2H3,(H,11,15)
InChIKeyJZPHUKLRZXPAPL-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.89
Rot. Bonds3

About 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione

4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione (PubChem CID 81335791) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione
PubChem CID81335791
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1Cc1cnn(C)c1
InChIInChI=1S/C10H14N4S/c1-3-9-5-11-10(15)14(9)7-8-4-12-13(2)6-8/h4-6H,3,7H2,1-2H3,(H,11,15)
InChIKeyJZPHUKLRZXPAPL-UHFFFAOYSA-N
XLogP1.89
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-(1-methylpyrazol-4-yl)-1H-imidazole-2-thione
CID 81335290
ethane;4-ethyl-1-methylpyrazole
CID 143829284
1-methyl-6-[(1-methylpyrazol-4-yl)methyl]-3-propyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299754
4-ethyl-3-(4-methylpentyl)-1H-imidazole-2-thione
CID 81334978
5-fluoro-3-[(1-methylpyrazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 62376136
5,6-dimethoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 83006080
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
5-methoxy-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 115321867
6-methyl-3-[(1-methylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3251158
3-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1H-imidazole-2-thione
CID 105419791
1-methyl-4-propylpyrazole;propane
CID 155742221
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63812539

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione (CID 81335791) is 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1Cc1cnn(C)c1.
What is the InChIKey of 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is JZPHUKLRZXPAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-9-5-11-10(15)14(9)7-8-4-12-13(2)6-8/h4-6H,3,7H2,1-2H3,(H,11,15).
What are the key properties of 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione?
4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 222.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81335791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).