2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine

C9H9ClN4S — CID 62409188

IUPAC2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine
SMILESCc1cc(Sc2nccnc2Cl)n(C)n1
InChIInChI=1S/C9H9ClN4S/c1-6-5-7(14(2)13-6)15-9-8(10)11-3-4-12-9/h3-5H,1-2H3
InChIKeyFCSJXYMTTSBWJN-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.32
Rot. Bonds2

About 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine

2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine (PubChem CID 62409188) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine
PubChem CID62409188
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine
SMILESCc1cc(Sc2nccnc2Cl)n(C)n1
InChIInChI=1S/C9H9ClN4S/c1-6-5-7(14(2)13-6)15-9-8(10)11-3-4-12-9/h3-5H,1-2H3
InChIKeyFCSJXYMTTSBWJN-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 55238693
N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-1-amine
CID 55239073
1,3-Dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile
CID 55241739
2-Chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine
CID 62409179
[3-(2,5-Dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine
CID 62684344
3-(2,5-Dimethylpyrazol-3-yl)sulfanylpyrazine-2-carboximidamide
CID 62684578
3-(2,5-Dimethylpyrazol-3-yl)sulfanylpyrazine-2-carbonitrile
CID 62685593
1,3-Dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine
CID 63380597
2-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyrazine
CID 63381028
1,3-Dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carboximidamide
CID 63750721
(1,3-Dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methanamine
CID 63756339
N-[(1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-yl)methyl]propan-2-amine
CID 63807783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine?
The IUPAC name of 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine (CID 62409188) is 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine.
What is the SMILES notation for 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine?
The canonical SMILES for 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine is Cc1cc(Sc2nccnc2Cl)n(C)n1.
What is the InChIKey of 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine?
The InChIKey is FCSJXYMTTSBWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-5-7(14(2)13-6)15-9-8(10)11-3-4-12-9/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine?
2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine has a molecular weight of 240.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazine is sourced from PubChem (CID 62409188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).