1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione

C15H24N4S — CID 79297477

IUPAC1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCc1nn(C)c2c1[nH]c(=S)n2CCC1CCCC(C)C1
InChIInChI=1S/C15H24N4S/c1-10-5-4-6-12(9-10)7-8-19-14-13(16-15(19)20)11(2)17-18(14)3/h10,12H,4-9H2,1-3H3,(H,16,20)
InChIKeyZWIGJQSCNUTSMZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.96
Rot. Bonds3

About 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione

1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79297477) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79297477
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCc1nn(C)c2c1[nH]c(=S)n2CCC1CCCC(C)C1
InChIInChI=1S/C15H24N4S/c1-10-5-4-6-12(9-10)7-8-19-14-13(16-15(19)20)11(2)17-18(14)3/h10,12H,4-9H2,1-3H3,(H,16,20)
InChIKeyZWIGJQSCNUTSMZ-UHFFFAOYSA-N
XLogP3.96
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.96
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 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79297477) is 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione is Cc1nn(C)c2c1[nH]c(=S)n2CCC1CCCC(C)C1.
What is the InChIKey of 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is ZWIGJQSCNUTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10-5-4-6-12(9-10)7-8-19-14-13(16-15(19)20)11(2)17-18(14)3/h10,12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione?
1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 292.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[2-(3-methylcyclohexyl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79297477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).