4-ethyl-5-ethylsulfanyl-1H-pyrazole

C7H12N2S — CID 122463144

IUPAC4-ethyl-5-ethylsulfanyl-1H-pyrazole
SMILESCCSc1[nH]ncc1CC
InChIInChI=1S/C7H12N2S/c1-3-6-5-8-9-7(6)10-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyJWEQNLGDWIZTNY-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.08
Rot. Bonds3

About 4-ethyl-5-ethylsulfanyl-1H-pyrazole

4-ethyl-5-ethylsulfanyl-1H-pyrazole (PubChem CID 122463144) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-ethyl-5-ethylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-ethylsulfanyl-1H-pyrazole
PubChem CID122463144
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-ethyl-5-ethylsulfanyl-1H-pyrazole
SMILESCCSc1[nH]ncc1CC
InChIInChI=1S/C7H12N2S/c1-3-6-5-8-9-7(6)10-4-2/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyJWEQNLGDWIZTNY-UHFFFAOYSA-N
XLogP2.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-ethylsulfanyl-1H-pyrazole?
The IUPAC name of 4-ethyl-5-ethylsulfanyl-1H-pyrazole (CID 122463144) is 4-ethyl-5-ethylsulfanyl-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-ethylsulfanyl-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-ethylsulfanyl-1H-pyrazole is CCSc1[nH]ncc1CC.
What is the InChIKey of 4-ethyl-5-ethylsulfanyl-1H-pyrazole?
The InChIKey is JWEQNLGDWIZTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-6-5-8-9-7(6)10-4-2/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-ethyl-5-ethylsulfanyl-1H-pyrazole?
4-ethyl-5-ethylsulfanyl-1H-pyrazole has a molecular weight of 156.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-ethylsulfanyl-1H-pyrazole is sourced from PubChem (CID 122463144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).