Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

Name: Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₇N₃O₃ — CID 114059817

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

SMILESCOCC1CCN(c2cnc(C(=O)OC)cn2)C1

InChIInChI=1S/C12H17N3O3/c1-17-8-9-3-4-15(7-9)11-6-13-10(5-14-11)12(16)18-2/h5-6,9H,3-4,7-8H2,1-2H3

InChIKeyFTDWKLTXNQWPPL-UHFFFAOYSA-N

MW251.29 g/mol

LogP0.74

Rot. Bonds4

About Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 114059817) has the molecular formula C₁₂H₁₇N₃O₃ and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Name	Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID	114059817
Molecular Formula	C₁₂H₁₇N₃O₃
Molecular Weight	251.29 g/mol
Exact Mass	251.13
IUPAC Name	methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILES	COCC1CCN(c2cnc(C(=O)OC)cn2)C1
InChI	InChI=1S/C12H17N3O3/c1-17-8-9-3-4-15(7-9)11-6-13-10(5-14-11)12(16)18-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey	FTDWKLTXNQWPPL-UHFFFAOYSA-N
XLogP	0.74
TPSA	64.55 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.29
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?

The IUPAC name of Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate (CID 114059817) is methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate.

What is the SMILES notation for Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?

The canonical SMILES for Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate is COCC1CCN(c2cnc(C(=O)OC)cn2)C1.

What is the InChIKey of Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?

The InChIKey is FTDWKLTXNQWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-8-9-3-4-15(7-9)11-6-13-10(5-14-11)12(16)18-2/h5-6,9H,3-4,7-8H2,1-2H3.

What are the key properties of Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?

Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 114059817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 114059817 — identifiers, structure, computed properties (public domain)

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