3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

C8H13N3S — CID 3643510

IUPAC3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESCSCCc1[nH]nc2c1CCN2
InChIInChI=1S/C8H13N3S/c1-12-5-3-7-6-2-4-9-8(6)11-10-7/h2-5H2,1H3,(H2,9,10,11)
InChIKeyAJAQMFJQWCZYQT-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.28
Rot. Bonds3

About 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (PubChem CID 3643510) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
PubChem CID3643510
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESCSCCc1[nH]nc2c1CCN2
InChIInChI=1S/C8H13N3S/c1-12-5-3-7-6-2-4-9-8(6)11-10-7/h2-5H2,1H3,(H2,9,10,11)
InChIKeyAJAQMFJQWCZYQT-UHFFFAOYSA-N
XLogP1.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (CID 3643510) is 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is CSCCc1[nH]nc2c1CCN2.
What is the InChIKey of 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The InChIKey is AJAQMFJQWCZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-12-5-3-7-6-2-4-9-8(6)11-10-7/h2-5H2,1H3,(H2,9,10,11).
What are the key properties of 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole has a molecular weight of 183.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3643510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).