1-methyl-4-(4-methylphenyl)sulfanylpyrazole

C11H12N2S — CID 162405756

IUPAC1-methyl-4-(4-methylphenyl)sulfanylpyrazole
SMILESCc1ccc(Sc2cnn(C)c2)cc1
InChIInChI=1S/C11H12N2S/c1-9-3-5-10(6-4-9)14-11-7-12-13(2)8-11/h3-8H,1-2H3
InChIKeyKORRYWOTHDLXIC-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.88
Rot. Bonds2

About 1-methyl-4-(4-methylphenyl)sulfanylpyrazole

1-methyl-4-(4-methylphenyl)sulfanylpyrazole (PubChem CID 162405756) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)sulfanylpyrazole.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)sulfanylpyrazole
PubChem CID162405756
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-methyl-4-(4-methylphenyl)sulfanylpyrazole
SMILESCc1ccc(Sc2cnn(C)c2)cc1
InChIInChI=1S/C11H12N2S/c1-9-3-5-10(6-4-9)14-11-7-12-13(2)8-11/h3-8H,1-2H3
InChIKeyKORRYWOTHDLXIC-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)sulfanylpyrazole?
The IUPAC name of 1-methyl-4-(4-methylphenyl)sulfanylpyrazole (CID 162405756) is 1-methyl-4-(4-methylphenyl)sulfanylpyrazole.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)sulfanylpyrazole?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)sulfanylpyrazole is Cc1ccc(Sc2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)sulfanylpyrazole?
The InChIKey is KORRYWOTHDLXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-9-3-5-10(6-4-9)14-11-7-12-13(2)8-11/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)sulfanylpyrazole?
1-methyl-4-(4-methylphenyl)sulfanylpyrazole has a molecular weight of 204.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)sulfanylpyrazole is sourced from PubChem (CID 162405756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).