4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole

C8H14N2S — CID 129314725

IUPAC4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole
SMILESCCSCc1[nH]ncc1CC
InChIInChI=1S/C8H14N2S/c1-3-7-5-9-10-8(7)6-11-4-2/h5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyIDOZHAUCCCLNHA-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.23
Rot. Bonds4

About 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole

4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole (PubChem CID 129314725) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole
PubChem CID129314725
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole
SMILESCCSCc1[nH]ncc1CC
InChIInChI=1S/C8H14N2S/c1-3-7-5-9-10-8(7)6-11-4-2/h5H,3-4,6H2,1-2H3,(H,9,10)
InChIKeyIDOZHAUCCCLNHA-UHFFFAOYSA-N
XLogP2.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole?
The IUPAC name of 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole (CID 129314725) is 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole is CCSCc1[nH]ncc1CC.
What is the InChIKey of 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole?
The InChIKey is IDOZHAUCCCLNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-7-5-9-10-8(7)6-11-4-2/h5H,3-4,6H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole?
4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole has a molecular weight of 170.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(ethylsulfanylmethyl)-1H-pyrazole is sourced from PubChem (CID 129314725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).