3-ethylsulfanyl-1,5-dimethylpyrazole

C7H12N2S — CID 90338979

IUPAC3-ethylsulfanyl-1,5-dimethylpyrazole
SMILESCCSc1cc(C)n(C)n1
InChIInChI=1S/C7H12N2S/c1-4-10-7-5-6(2)9(3)8-7/h5H,4H2,1-3H3
InChIKeyKDTFOZPWXWMWIS-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.84
Rot. Bonds2

About 3-ethylsulfanyl-1,5-dimethylpyrazole

3-ethylsulfanyl-1,5-dimethylpyrazole (PubChem CID 90338979) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-ethylsulfanyl-1,5-dimethylpyrazole
PubChem CID90338979
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-ethylsulfanyl-1,5-dimethylpyrazole
SMILESCCSc1cc(C)n(C)n1
InChIInChI=1S/C7H12N2S/c1-4-10-7-5-6(2)9(3)8-7/h5H,4H2,1-3H3
InChIKeyKDTFOZPWXWMWIS-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,5-dimethylpyrazole?
The IUPAC name of 3-ethylsulfanyl-1,5-dimethylpyrazole (CID 90338979) is 3-ethylsulfanyl-1,5-dimethylpyrazole.
What is the SMILES notation for 3-ethylsulfanyl-1,5-dimethylpyrazole?
The canonical SMILES for 3-ethylsulfanyl-1,5-dimethylpyrazole is CCSc1cc(C)n(C)n1.
What is the InChIKey of 3-ethylsulfanyl-1,5-dimethylpyrazole?
The InChIKey is KDTFOZPWXWMWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-4-10-7-5-6(2)9(3)8-7/h5H,4H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-1,5-dimethylpyrazole?
3-ethylsulfanyl-1,5-dimethylpyrazole has a molecular weight of 156.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,5-dimethylpyrazole is sourced from PubChem (CID 90338979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).