methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate

C12H14N4O2 — CID 66456465

IUPACmethyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C12H14N4O2/c1-8(2)9-4-5-16(15-9)11-7-13-6-10(14-11)12(17)18-3/h4-8H,1-3H3
InChIKeyACTGVJIXEIDBFY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.57
Rot. Bonds3

About methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate

methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66456465) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID66456465
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C12H14N4O2/c1-8(2)9-4-5-16(15-9)11-7-13-6-10(14-11)12(17)18-3/h4-8H,1-3H3
InChIKeyACTGVJIXEIDBFY-UHFFFAOYSA-N
XLogP1.57
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
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-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate (CID 66456465) is methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2ccc(C(C)C)n2)n1.
What is the InChIKey of methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is ACTGVJIXEIDBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(2)9-4-5-16(15-9)11-7-13-6-10(14-11)12(17)18-3/h4-8H,1-3H3.
What are the key properties of methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).