1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid

C10H8N4O4 — CID 66457610

IUPAC1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
SMILESCOC(=O)c1cncc(-n2ccc(C(=O)O)n2)n1
InChIInChI=1S/C10H8N4O4/c1-18-10(17)7-4-11-5-8(12-7)14-3-2-6(13-14)9(15)16/h2-5H,1H3,(H,15,16)
InChIKeyAXGINEKKVBUFSN-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.15
Rot. Bonds3

About 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid

1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid (PubChem CID 66457610) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
PubChem CID66457610
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
SMILESCOC(=O)c1cncc(-n2ccc(C(=O)O)n2)n1
InChIInChI=1S/C10H8N4O4/c1-18-10(17)7-4-11-5-8(12-7)14-3-2-6(13-14)9(15)16/h2-5H,1H3,(H,15,16)
InChIKeyAXGINEKKVBUFSN-UHFFFAOYSA-N
XLogP0.15
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456269
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 6-(4-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456461
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212
methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
CID 66455880
3-[4-(6-methoxycarbonylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 66454587
methyl 6-(2-carbamothioylpyrrol-1-yl)pyrazine-2-carboxylate
CID 114654360
methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
CID 66457745
methyl 1-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylate
CID 168512721
methyl 6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66458638
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid (CID 66457610) is 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid is COC(=O)c1cncc(-n2ccc(C(=O)O)n2)n1.
What is the InChIKey of 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is AXGINEKKVBUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c1-18-10(17)7-4-11-5-8(12-7)14-3-2-6(13-14)9(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid?
1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 66457610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).