1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea

C14H23N5O2 — CID 53185684

IUPAC1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea
SMILESCCCOc1nccnc1N1CCC(NC(=O)NCC)C1
InChIInChI=1S/C14H23N5O2/c1-3-9-21-13-12(16-6-7-17-13)19-8-5-11(10-19)18-14(20)15-4-2/h6-7,11H,3-5,8-10H2,1-2H3,(H2,15,18,20)
InChIKeyRYBWYRATRBUBRL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.16
Rot. Bonds6

About 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea

1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea (PubChem CID 53185684) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea
PubChem CID53185684
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea
SMILESCCCOc1nccnc1N1CCC(NC(=O)NCC)C1
InChIInChI=1S/C14H23N5O2/c1-3-9-21-13-12(16-6-7-17-13)19-8-5-11(10-19)18-14(20)15-4-2/h6-7,11H,3-5,8-10H2,1-2H3,(H2,15,18,20)
InChIKeyRYBWYRATRBUBRL-UHFFFAOYSA-N
XLogP1.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea (CID 53185684) is 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea is CCCOc1nccnc1N1CCC(NC(=O)NCC)C1.
What is the InChIKey of 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
The InChIKey is RYBWYRATRBUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-9-21-13-12(16-6-7-17-13)19-8-5-11(10-19)18-14(20)15-4-2/h6-7,11H,3-5,8-10H2,1-2H3,(H2,15,18,20).
What are the key properties of 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea?
1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea has a molecular weight of 293.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(3-propoxypyrazin-2-yl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 53185684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).