methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate

C9H9N5O2 — CID 66456212

IUPACmethyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2cc(N)cn2)n1
InChIInChI=1S/C9H9N5O2/c1-16-9(15)7-3-11-4-8(13-7)14-5-6(10)2-12-14/h2-5H,10H2,1H3
InChIKeyGCPWVHGUMUEHMP-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.03
Rot. Bonds2

About methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate

methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66456212) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID66456212
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Namemethyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2cc(N)cn2)n1
InChIInChI=1S/C9H9N5O2/c1-16-9(15)7-3-11-4-8(13-7)14-5-6(10)2-12-14/h2-5H,10H2,1H3
InChIKeyGCPWVHGUMUEHMP-UHFFFAOYSA-N
XLogP0.03
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(4-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456461
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66456269
1-(6-methoxycarbonylpyrazin-2-yl)pyrazole-3-carboxylic acid
CID 66457610
methyl 2-(4-aminopyrazol-1-yl)benzoate
CID 131512401
methyl 6-(4,5-dimethylimidazol-1-yl)pyrazine-2-carboxylate
CID 66455880
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 6-bromopyrazine-2-carboxylate
CID 52988070
methyl 6-(2-carbamothioylpyrrol-1-yl)pyrazine-2-carboxylate
CID 114654360
methyl 6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboxylate
CID 66458638
methyl 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyrazine-2-carboxylate
CID 66456799
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate (CID 66456212) is methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2cc(N)cn2)n1.
What is the InChIKey of methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is GCPWVHGUMUEHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-16-9(15)7-3-11-4-8(13-7)14-5-6(10)2-12-14/h2-5H,10H2,1H3.
What are the key properties of methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).