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

C12H12N4O2 — CID 66456074

IUPACmethyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H12N4O2/c1-18-12(17)10-6-13-7-11(14-10)16-5-4-9(15-16)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyYQGBWYVUONBZJH-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.33
Rot. Bonds3

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

methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 66456074) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID66456074
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Namemethyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H12N4O2/c1-18-12(17)10-6-13-7-11(14-10)16-5-4-9(15-16)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyYQGBWYVUONBZJH-UHFFFAOYSA-N
XLogP1.33
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate (CID 66456074) is methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is YQGBWYVUONBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-12(17)10-6-13-7-11(14-10)16-5-4-9(15-16)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-cyclopropylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66456074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).