1-(2-ethylsulfanylethyl)pyrazole

C7H12N2S — CID 15665289

IUPAC1-(2-ethylsulfanylethyl)pyrazole
SMILESCCSCCn1cccn1
InChIInChI=1S/C7H12N2S/c1-2-10-7-6-9-5-3-4-8-9/h3-5H,2,6-7H2,1H3
InChIKeyDKPDMNIXELUUAP-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.64
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)pyrazole

1-(2-ethylsulfanylethyl)pyrazole (PubChem CID 15665289) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)pyrazole.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)pyrazole
PubChem CID15665289
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-(2-ethylsulfanylethyl)pyrazole
SMILESCCSCCn1cccn1
InChIInChI=1S/C7H12N2S/c1-2-10-7-6-9-5-3-4-8-9/h3-5H,2,6-7H2,1H3
InChIKeyDKPDMNIXELUUAP-UHFFFAOYSA-N
XLogP1.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
1-tert-Butyl-1H-pyrazole
CID 13469815
1-ethenyl-1H-pyrazole
CID 6420997
1-Propyl-1H-pyrazole
CID 12711096
1-isopropyl-1H-pyrazole
CID 13469816
(2-Pyrazol-1-yl-ethylsulfanyl)-acetic acid
CID 650467
2-(1H-pyrazol-1-yl)acetonitrile
CID 7017843
3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CID 43531677
1-butyl-1H-pyrazole
CID 142906
1,2-Dimethyl-1H-pyrazol-2-ium iodide
CID 13001652

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)pyrazole?
The IUPAC name of 1-(2-ethylsulfanylethyl)pyrazole (CID 15665289) is 1-(2-ethylsulfanylethyl)pyrazole.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)pyrazole?
The canonical SMILES for 1-(2-ethylsulfanylethyl)pyrazole is CCSCCn1cccn1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)pyrazole?
The InChIKey is DKPDMNIXELUUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-10-7-6-9-5-3-4-8-9/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(2-ethylsulfanylethyl)pyrazole?
1-(2-ethylsulfanylethyl)pyrazole has a molecular weight of 156.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)pyrazole is sourced from PubChem (CID 15665289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).