ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate

C14H24N4O3 — CID 20964023

IUPACethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1c(C)nn(CC)c1C
InChIInChI=1S/C14H24N4O3/c1-5-18-11(4)12(10(3)17-18)7-8-15-14(20)16-9-13(19)21-6-2/h5-9H2,1-4H3,(H2,15,16,20)
InChIKeyCJRUHFLEFQGLEE-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.92
Rot. Bonds7

About ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate

ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate (PubChem CID 20964023) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate
PubChem CID20964023
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1c(C)nn(CC)c1C
InChIInChI=1S/C14H24N4O3/c1-5-18-11(4)12(10(3)17-18)7-8-15-14(20)16-9-13(19)21-6-2/h5-9H2,1-4H3,(H2,15,16,20)
InChIKeyCJRUHFLEFQGLEE-UHFFFAOYSA-N
XLogP0.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate (CID 20964023) is ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCc1c(C)nn(CC)c1C.
What is the InChIKey of ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate?
The InChIKey is CJRUHFLEFQGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-18-11(4)12(10(3)17-18)7-8-15-14(20)16-9-13(19)21-6-2/h5-9H2,1-4H3,(H2,15,16,20).
What are the key properties of ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate has a molecular weight of 296.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 20964023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).