4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine

C8H8ClN3S — CID 104732266

IUPAC4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine
SMILESClCCSc1nccn2nccc12
InChIInChI=1S/C8H8ClN3S/c9-2-6-13-8-7-1-3-11-12(7)5-4-10-8/h1,3-5H,2,6H2
InChIKeyPZAFFDRJLIIHSL-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine

4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104732266) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine
PubChem CID104732266
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine
SMILESClCCSc1nccn2nccc12
InChIInChI=1S/C8H8ClN3S/c9-2-6-13-8-7-1-3-11-12(7)5-4-10-8/h1,3-5H,2,6H2
InChIKeyPZAFFDRJLIIHSL-UHFFFAOYSA-N
XLogP2.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiazolopyridazine
CID 18758278
4-(2-Chloroethylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732265
4-(3-Chloro-2-methylpropyl)sulfanyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732270
4-(1-Chloropropan-2-ylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732280
4-(4-Chlorobutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 113446442
4-(3-Chloropropylsulfanyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 113446444
6-Methyl-[1,3]thiazolo[5,4-c]pyridazine
CID 21139044
6-Tert-butyl-[1,3]thiazolo[5,4-c]pyridazine
CID 90328695
6-Propan-2-yl-[1,3]thiazolo[5,4-c]pyridazine
CID 130232739
Ethane;6-methyl-[1,3]thiazolo[5,4-c]pyridazine
CID 144655426
Pyrazolo[1,5-a]pyrazine-6-thiol
CID 155055373
6-Methylsulfanylpyrazolo[1,5-a]pyrazine
CID 170375120

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine (CID 104732266) is 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine is ClCCSc1nccn2nccc12.
What is the InChIKey of 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is PZAFFDRJLIIHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-2-6-13-8-7-1-3-11-12(7)5-4-10-8/h1,3-5H,2,6H2.
What are the key properties of 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine?
4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 213.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylsulfanyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).