5-ethylsulfanyl-1H-pyrazole

C5H8N2S — CID 20784799

IUPAC5-ethylsulfanyl-1H-pyrazole
SMILESCCSc1ccn[nH]1
InChIInChI=1S/C5H8N2S/c1-2-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyXIJCOJYCASQRKH-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.52
Rot. Bonds2

About 5-ethylsulfanyl-1H-pyrazole

5-ethylsulfanyl-1H-pyrazole (PubChem CID 20784799) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-ethylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-ethylsulfanyl-1H-pyrazole
PubChem CID20784799
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name5-ethylsulfanyl-1H-pyrazole
SMILESCCSc1ccn[nH]1
InChIInChI=1S/C5H8N2S/c1-2-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKeyXIJCOJYCASQRKH-UHFFFAOYSA-N
XLogP1.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1H-pyrazole?
The IUPAC name of 5-ethylsulfanyl-1H-pyrazole (CID 20784799) is 5-ethylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-ethylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-ethylsulfanyl-1H-pyrazole is CCSc1ccn[nH]1.
What is the InChIKey of 5-ethylsulfanyl-1H-pyrazole?
The InChIKey is XIJCOJYCASQRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-2-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7).
What are the key properties of 5-ethylsulfanyl-1H-pyrazole?
5-ethylsulfanyl-1H-pyrazole has a molecular weight of 128.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1H-pyrazole is sourced from PubChem (CID 20784799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).