2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine

C9H9ClN4O — CID 81341582

IUPAC2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine
SMILESCc1cc(Oc2cncc(CCl)n2)n[nH]1
InChIInChI=1S/C9H9ClN4O/c1-6-2-8(14-13-6)15-9-5-11-4-7(3-10)12-9/h2,4-5H,3H2,1H3,(H,13,14)
InChIKeyJPFNXTZNMUVZRF-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.04
Rot. Bonds3

About 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine

2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine (PubChem CID 81341582) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine
PubChem CID81341582
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine
SMILESCc1cc(Oc2cncc(CCl)n2)n[nH]1
InChIInChI=1S/C9H9ClN4O/c1-6-2-8(14-13-6)15-9-5-11-4-7(3-10)12-9/h2,4-5H,3H2,1H3,(H,13,14)
InChIKeyJPFNXTZNMUVZRF-UHFFFAOYSA-N
XLogP2.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-amine
CID 81341217
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-amine
CID 81341317
2-Chloro-6-(2,5-dimethylpyrazol-3-yl)oxypyrazine
CID 81341345
2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 81341397
[3-(2,5-Dimethylpyrazol-3-yl)oxypyrazin-2-yl]methanamine
CID 81341431
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341455
methyl 6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carboxylate
CID 81341558
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide
CID 81341568
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
CID 81341590
N-methyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341591
[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]hydrazine
CID 81341620
2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 81341679

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine?
The IUPAC name of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine (CID 81341582) is 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine is Cc1cc(Oc2cncc(CCl)n2)n[nH]1.
What is the InChIKey of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine?
The InChIKey is JPFNXTZNMUVZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-6-2-8(14-13-6)15-9-5-11-4-7(3-10)12-9/h2,4-5H,3H2,1H3,(H,13,14).
What are the key properties of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine?
2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine has a molecular weight of 224.65 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine is sourced from PubChem (CID 81341582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).