1,3-dimethyl-4-methylsulfinylpyrazole

C6H10N2OS — CID 142372649

IUPAC1,3-dimethyl-4-methylsulfinylpyrazole
SMILESCc1nn(C)cc1S(C)=O
InChIInChI=1S/C6H10N2OS/c1-5-6(10(3)9)4-8(2)7-5/h4H,1-3H3
InChIKeyWIHQHZRAZXSRJR-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.47
Rot. Bonds1

About 1,3-dimethyl-4-methylsulfinylpyrazole

1,3-dimethyl-4-methylsulfinylpyrazole (PubChem CID 142372649) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1,3-dimethyl-4-methylsulfinylpyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-methylsulfinylpyrazole
PubChem CID142372649
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1,3-dimethyl-4-methylsulfinylpyrazole
SMILESCc1nn(C)cc1S(C)=O
InChIInChI=1S/C6H10N2OS/c1-5-6(10(3)9)4-8(2)7-5/h4H,1-3H3
InChIKeyWIHQHZRAZXSRJR-UHFFFAOYSA-N
XLogP0.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1,3-dimethylpyrazole
CID 12615416
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
4-isocyano-1,3-dimethylpyrazole
CID 20736941
4-tert-butyl-1,3-dimethylpyrazole;ethane
CID 144507341
1,3-dimethylpyrazole-4-diazonium
CID 12687201
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole
CID 170573695
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
bis(1,4-dimethylpyrazol-3-yl)diazene
CID 162540280
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102802676

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-methylsulfinylpyrazole?
The IUPAC name of 1,3-dimethyl-4-methylsulfinylpyrazole (CID 142372649) is 1,3-dimethyl-4-methylsulfinylpyrazole.
What is the SMILES notation for 1,3-dimethyl-4-methylsulfinylpyrazole?
The canonical SMILES for 1,3-dimethyl-4-methylsulfinylpyrazole is Cc1nn(C)cc1S(C)=O.
What is the InChIKey of 1,3-dimethyl-4-methylsulfinylpyrazole?
The InChIKey is WIHQHZRAZXSRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-6(10(3)9)4-8(2)7-5/h4H,1-3H3.
What are the key properties of 1,3-dimethyl-4-methylsulfinylpyrazole?
1,3-dimethyl-4-methylsulfinylpyrazole has a molecular weight of 158.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-methylsulfinylpyrazole is sourced from PubChem (CID 142372649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).