methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate

C10H10N4O2 — CID 66456269

IUPACmethyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2ccc(C)n2)n1
InChIInChI=1S/C10H10N4O2/c1-7-3-4-14(13-7)9-6-11-5-8(12-9)10(15)16-2/h3-6H,1-2H3
InChIKeyZKYSNQZUCBWQBP-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.76
Rot. Bonds2

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

methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66456269) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID66456269
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namemethyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2ccc(C)n2)n1
InChIInChI=1S/C10H10N4O2/c1-7-3-4-14(13-7)9-6-11-5-8(12-9)10(15)16-2/h3-6H,1-2H3
InChIKeyZKYSNQZUCBWQBP-UHFFFAOYSA-N
XLogP0.76
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate (CID 66456269) is methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2ccc(C)n2)n1.
What is the InChIKey of methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is ZKYSNQZUCBWQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-3-4-14(13-7)9-6-11-5-8(12-9)10(15)16-2/h3-6H,1-2H3.
What are the key properties of methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 218.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-methylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).