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

C13H16N4O2 — CID 82692346

IUPACmethyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCCc1cc(CC)n(-c2cncc(C(=O)OC)n2)n1
InChIInChI=1S/C13H16N4O2/c1-4-9-6-10(5-2)17(16-9)12-8-14-7-11(15-12)13(18)19-3/h6-8H,4-5H2,1-3H3
InChIKeySMVVMDMVEGEQKH-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.57
Rot. Bonds4

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

methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 82692346) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID82692346
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCCc1cc(CC)n(-c2cncc(C(=O)OC)n2)n1
InChIInChI=1S/C13H16N4O2/c1-4-9-6-10(5-2)17(16-9)12-8-14-7-11(15-12)13(18)19-3/h6-8H,4-5H2,1-3H3
InChIKeySMVVMDMVEGEQKH-UHFFFAOYSA-N
XLogP1.57
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate (CID 82692346) is methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate is CCc1cc(CC)n(-c2cncc(C(=O)OC)n2)n1.
What is the InChIKey of methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is SMVVMDMVEGEQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-9-6-10(5-2)17(16-9)12-8-14-7-11(15-12)13(18)19-3/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 82692346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).