1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole

C11H18N2OS — CID 170182274

IUPAC1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CC(C)OC(c2cnn(C)c2)C1
InChIInChI=1S/C11H18N2OS/c1-8-4-10(15-3)5-11(14-8)9-6-12-13(2)7-9/h6-8,10-11H,4-5H2,1-3H3
InChIKeyUQMMMYNQCGCKQA-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole

1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole (PubChem CID 170182274) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
PubChem CID170182274
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CC(C)OC(c2cnn(C)c2)C1
InChIInChI=1S/C11H18N2OS/c1-8-4-10(15-3)5-11(14-8)9-6-12-13(2)7-9/h6-8,10-11H,4-5H2,1-3H3
InChIKeyUQMMMYNQCGCKQA-UHFFFAOYSA-N
XLogP2.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
The IUPAC name of 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole (CID 170182274) is 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
The canonical SMILES for 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole is CSC1CC(C)OC(c2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
The InChIKey is UQMMMYNQCGCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-4-10(15-3)5-11(14-8)9-6-12-13(2)7-9/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole has a molecular weight of 226.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole is sourced from PubChem (CID 170182274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).