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

C8H10N4S — CID 81335706

IUPAC4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1-c1ccn(C)n1
InChIInChI=1S/C8H10N4S/c1-6-5-9-8(13)12(6)7-3-4-11(2)10-7/h3-5H,1-2H3,(H,9,13)
InChIKeyYFJUFRNXJYOUST-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.58
Rot. Bonds1

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

4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione (PubChem CID 81335706) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione
PubChem CID81335706
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1-c1ccn(C)n1
InChIInChI=1S/C8H10N4S/c1-6-5-9-8(13)12(6)7-3-4-11(2)10-7/h3-5H,1-2H3,(H,9,13)
InChIKeyYFJUFRNXJYOUST-UHFFFAOYSA-N
XLogP1.58
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione (CID 81335706) is 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1-c1ccn(C)n1.
What is the InChIKey of 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
The InChIKey is YFJUFRNXJYOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-5-9-8(13)12(6)7-3-4-11(2)10-7/h3-5H,1-2H3,(H,9,13).
What are the key properties of 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione?
4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione has a molecular weight of 194.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylpyrazol-3-yl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).