5-(1-methylsulfanylethyl)-1H-pyrazole

C6H10N2S — CID 123304463

IUPAC5-(1-methylsulfanylethyl)-1H-pyrazole
SMILESCSC(C)c1ccn[nH]1
InChIInChI=1S/C6H10N2S/c1-5(9-2)6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyBQISQQXRJSFMOA-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.83
Rot. Bonds2

About 5-(1-methylsulfanylethyl)-1H-pyrazole

5-(1-methylsulfanylethyl)-1H-pyrazole (PubChem CID 123304463) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-(1-methylsulfanylethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-methylsulfanylethyl)-1H-pyrazole
PubChem CID123304463
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-(1-methylsulfanylethyl)-1H-pyrazole
SMILESCSC(C)c1ccn[nH]1
InChIInChI=1S/C6H10N2S/c1-5(9-2)6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyBQISQQXRJSFMOA-UHFFFAOYSA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylethyl)-1H-pyrazole?
The IUPAC name of 5-(1-methylsulfanylethyl)-1H-pyrazole (CID 123304463) is 5-(1-methylsulfanylethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1-methylsulfanylethyl)-1H-pyrazole?
The canonical SMILES for 5-(1-methylsulfanylethyl)-1H-pyrazole is CSC(C)c1ccn[nH]1.
What is the InChIKey of 5-(1-methylsulfanylethyl)-1H-pyrazole?
The InChIKey is BQISQQXRJSFMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5(9-2)6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8).
What are the key properties of 5-(1-methylsulfanylethyl)-1H-pyrazole?
5-(1-methylsulfanylethyl)-1H-pyrazole has a molecular weight of 142.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylethyl)-1H-pyrazole is sourced from PubChem (CID 123304463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).