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

C13H16N4O2 — CID 66457462

IUPACmethyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCCc1c(C)nn(-c2cncc(C(=O)OC)n2)c1C
InChIInChI=1S/C13H16N4O2/c1-5-10-8(2)16-17(9(10)3)12-7-14-6-11(15-12)13(18)19-4/h6-7H,5H2,1-4H3
InChIKeyQPTCIIAPAQUMNZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.63
Rot. Bonds3

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

methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66457462) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID66457462
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCCc1c(C)nn(-c2cncc(C(=O)OC)n2)c1C
InChIInChI=1S/C13H16N4O2/c1-5-10-8(2)16-17(9(10)3)12-7-14-6-11(15-12)13(18)19-4/h6-7H,5H2,1-4H3
InChIKeyQPTCIIAPAQUMNZ-UHFFFAOYSA-N
XLogP1.63
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate (CID 66457462) is methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate is CCc1c(C)nn(-c2cncc(C(=O)OC)n2)c1C.
What is the InChIKey of methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is QPTCIIAPAQUMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-5-10-8(2)16-17(9(10)3)12-7-14-6-11(15-12)13(18)19-4/h6-7H,5H2,1-4H3.
What are the key properties of methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66457462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).