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

C11H19N3O2 — CID 129359467

IUPACethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCn1nc(C)cc1C
InChIInChI=1S/C11H19N3O2/c1-4-16-11(15)8-12-5-6-14-10(3)7-9(2)13-14/h7,12H,4-6,8H2,1-3H3
InChIKeyTUGAGZHUTOUVFW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.65
Rot. Bonds6

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

ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate (PubChem CID 129359467) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
PubChem CID129359467
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
SMILESCCOC(=O)CNCCn1nc(C)cc1C
InChIInChI=1S/C11H19N3O2/c1-4-16-11(15)8-12-5-6-14-10(3)7-9(2)13-14/h7,12H,4-6,8H2,1-3H3
InChIKeyTUGAGZHUTOUVFW-UHFFFAOYSA-N
XLogP0.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetate
CID 115571558
ethyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-hydroxybutanoate
CID 103266908
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 30237813
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
ethyl N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-N-methylcarbamate
CID 51081607
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
ethyl 2-[[2-[4-[2-aminoethyl-[2-(3,5-dimethylpyrazol-1-yl)ethyl]amino]butanoylamino]acetyl]amino]acetate
CID 11181493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate (CID 129359467) is ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate is CCOC(=O)CNCCn1nc(C)cc1C.
What is the InChIKey of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate?
The InChIKey is TUGAGZHUTOUVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-16-11(15)8-12-5-6-14-10(3)7-9(2)13-14/h7,12H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate?
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate has a molecular weight of 225.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate is sourced from PubChem (CID 129359467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).