2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine

C9H9ClN4O — CID 81341345

IUPAC2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine
SMILESCc1cc(Oc2cncc(Cl)n2)n(C)n1
InChIInChI=1S/C9H9ClN4O/c1-6-3-9(14(2)13-6)15-8-5-11-4-7(10)12-8/h3-5H,1-2H3
InChIKeyOURLMCCZTQAXSW-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine

2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine (PubChem CID 81341345) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine.

Molecular Properties

Compound Name2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine
PubChem CID81341345
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine
SMILESCc1cc(Oc2cncc(Cl)n2)n(C)n1
InChIInChI=1S/C9H9ClN4O/c1-6-3-9(14(2)13-6)15-8-5-11-4-7(10)12-8/h3-5H,1-2H3
InChIKeyOURLMCCZTQAXSW-UHFFFAOYSA-N
XLogP1.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine?
The IUPAC name of 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine (CID 81341345) is 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine.
What is the SMILES notation for 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine?
The canonical SMILES for 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine is Cc1cc(Oc2cncc(Cl)n2)n(C)n1.
What is the InChIKey of 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine?
The InChIKey is OURLMCCZTQAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-6-3-9(14(2)13-6)15-8-5-11-4-7(10)12-8/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine?
2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine has a molecular weight of 224.65 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine is sourced from PubChem (CID 81341345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).