2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine

C9H9ClN4O2S — CID 165480513

IUPAC2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine
SMILESCS(=O)(=O)c1cnn(-c2cnc(CCl)cn2)c1
InChIInChI=1S/C9H9ClN4O2S/c1-17(15,16)8-4-13-14(6-8)9-5-11-7(2-10)3-12-9/h3-6H,2H2,1H3
InChIKeyNQEWHBATCKVKNA-UHFFFAOYSA-N
MW272.72 g/mol
LogP0.80
Rot. Bonds3

About 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine

2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine (PubChem CID 165480513) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine
PubChem CID165480513
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine
SMILESCS(=O)(=O)c1cnn(-c2cnc(CCl)cn2)c1
InChIInChI=1S/C9H9ClN4O2S/c1-17(15,16)8-4-13-14(6-8)9-5-11-7(2-10)3-12-9/h3-6H,2H2,1H3
InChIKeyNQEWHBATCKVKNA-UHFFFAOYSA-N
XLogP0.80
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]methanamine
CID 165472914
5-(4-methylsulfonylpyrazol-1-yl)pyrazine-2-carboximidamide
CID 165472746
[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 165472906
[3-chloro-6-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanol
CID 165480660
[3-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165480871
[3-chloro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
CID 165479622
5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine
CID 165481641
N'-hydroxy-6-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481072
(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine
CID 165477516
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
3-methyl-5-(4-methylsulfonylpyrazol-1-yl)aniline
CID 165472756

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine (CID 165480513) is 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine is CS(=O)(=O)c1cnn(-c2cnc(CCl)cn2)c1.
What is the InChIKey of 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine?
The InChIKey is NQEWHBATCKVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-17(15,16)8-4-13-14(6-8)9-5-11-7(2-10)3-12-9/h3-6H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine?
2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine has a molecular weight of 272.72 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-methylsulfonylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 165480513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).