methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate

C12H14N4O2 — CID 66457262

IUPACmethyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H14N4O2/c1-7-8(2)15-16(9(7)3)11-6-13-5-10(14-11)12(17)18-4/h5-6H,1-4H3
InChIKeyCQBZHLVUCUXPHR-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.37
Rot. Bonds2

About methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate

methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66457262) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID66457262
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H14N4O2/c1-7-8(2)15-16(9(7)3)11-6-13-5-10(14-11)12(17)18-4/h5-6H,1-4H3
InChIKeyCQBZHLVUCUXPHR-UHFFFAOYSA-N
XLogP1.37
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate (CID 66457262) is methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is CQBZHLVUCUXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-8(2)15-16(9(7)3)11-6-13-5-10(14-11)12(17)18-4/h5-6H,1-4H3.
What are the key properties of methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4,5-trimethylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66457262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).