2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C7H10N2S — CID 134558779

IUPAC2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCSc1cc2n(n1)CCC2
InChIInChI=1S/C7H10N2S/c1-10-7-5-6-3-2-4-9(6)8-7/h5H,2-4H2,1H3
InChIKeyHWOVOCYZPPOWOK-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.55
Rot. Bonds1

About 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 134558779) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID134558779
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCSc1cc2n(n1)CCC2
InChIInChI=1S/C7H10N2S/c1-10-7-5-6-3-2-4-9(6)8-7/h5H,2-4H2,1H3
InChIKeyHWOVOCYZPPOWOK-UHFFFAOYSA-N
XLogP1.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 134558779) is 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is CSc1cc2n(n1)CCC2.
What is the InChIKey of 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is HWOVOCYZPPOWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-10-7-5-6-3-2-4-9(6)8-7/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 154.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 134558779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).