methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate

C11H11N5O4 — CID 107346290

IUPACmethyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2cc(N)c(C(=O)OC)n2)n1
InChIInChI=1S/C11H11N5O4/c1-19-10(17)7-3-13-4-8(14-7)16-5-6(12)9(15-16)11(18)20-2/h3-5H,12H2,1-2H3
InChIKeyLSGPGOJUNZQLFK-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.18
Rot. Bonds3

About methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate

methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 107346290) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID107346290
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Namemethyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2cc(N)c(C(=O)OC)n2)n1
InChIInChI=1S/C11H11N5O4/c1-19-10(17)7-3-13-4-8(14-7)16-5-6(12)9(15-16)11(18)20-2/h3-5H,12H2,1-2H3
InChIKeyLSGPGOJUNZQLFK-UHFFFAOYSA-N
XLogP-0.18
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212
methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456269
1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
CID 66457610
methyl 6-(4-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456461
methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
CID 107346354
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
CID 66455880
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate (CID 107346290) is methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2cc(N)c(C(=O)OC)n2)n1.
What is the InChIKey of methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is LSGPGOJUNZQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-19-10(17)7-3-13-4-8(14-7)16-5-6(12)9(15-16)11(18)20-2/h3-5H,12H2,1-2H3.
What are the key properties of methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 277.24 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 107346290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).