methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate

C13H17N5O2 — CID 82702630

IUPACmethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCCc1nn(-c2cncc(C(=O)OC)n2)c(CC)c1N
InChIInChI=1S/C13H17N5O2/c1-4-8-12(14)10(5-2)18(17-8)11-7-15-6-9(16-11)13(19)20-3/h6-7H,4-5,14H2,1-3H3
InChIKeyPSZNGRRDWDRQCL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.16
Rot. Bonds4

About methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate

methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate (PubChem CID 82702630) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate
PubChem CID82702630
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate
SMILESCCc1nn(-c2cncc(C(=O)OC)n2)c(CC)c1N
InChIInChI=1S/C13H17N5O2/c1-4-8-12(14)10(5-2)18(17-8)11-7-15-6-9(16-11)13(19)20-3/h6-7H,4-5,14H2,1-3H3
InChIKeyPSZNGRRDWDRQCL-UHFFFAOYSA-N
XLogP1.16
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate (CID 82702630) is methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate is CCc1nn(-c2cncc(C(=O)OC)n2)c(CC)c1N.
What is the InChIKey of methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
The InChIKey is PSZNGRRDWDRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-8-12(14)10(5-2)18(17-8)11-7-15-6-9(16-11)13(19)20-3/h6-7H,4-5,14H2,1-3H3.
What are the key properties of methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate?
methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-amino-3,5-diethylpyrazol-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 82702630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).