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

C10H16N2OS — CID 168887054

IUPAC1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C10H16N2OS/c1-12-7-8(6-11-12)10-5-9(14-2)3-4-13-10/h6-7,9-10H,3-5H2,1-2H3
InChIKeyOKDSUYJKXOSLOC-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.00
Rot. Bonds2

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

1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole (PubChem CID 168887054) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
PubChem CID168887054
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C10H16N2OS/c1-12-7-8(6-11-12)10-5-9(14-2)3-4-13-10/h6-7,9-10H,3-5H2,1-2H3
InChIKeyOKDSUYJKXOSLOC-UHFFFAOYSA-N
XLogP2.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
The IUPAC name of 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole (CID 168887054) is 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
The canonical SMILES for 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole is CSC1CCOC(c2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
The InChIKey is OKDSUYJKXOSLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-7-8(6-11-12)10-5-9(14-2)3-4-13-10/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole?
1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole has a molecular weight of 212.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylsulfanyloxan-2-yl)pyrazole is sourced from PubChem (CID 168887054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).