ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate

C13H21N3O3 — CID 61342578

IUPACethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H21N3O3/c1-6-19-13(18)9(3)14-12(17)7-11-8(2)15-16(5)10(11)4/h9H,6-7H2,1-5H3,(H,14,17)
InChIKeyGDIAXNYZHJYRKO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.65
Rot. Bonds5

About ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate

ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate (PubChem CID 61342578) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
PubChem CID61342578
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H21N3O3/c1-6-19-13(18)9(3)14-12(17)7-11-8(2)15-16(5)10(11)4/h9H,6-7H2,1-5H3,(H,14,17)
InChIKeyGDIAXNYZHJYRKO-UHFFFAOYSA-N
XLogP0.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41358567
N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42929090
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate
CID 20964095
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
N-(2,2,2-trifluoroethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 81340103
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
methyl 2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoate
CID 43431496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate (CID 61342578) is ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate?
The InChIKey is GDIAXNYZHJYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-19-13(18)9(3)14-12(17)7-11-8(2)15-16(5)10(11)4/h9H,6-7H2,1-5H3,(H,14,17).
What are the key properties of ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate?
ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate is sourced from PubChem (CID 61342578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).