ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate

C14H24N4O3 — CID 60671988

IUPACethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H24N4O3/c1-5-21-13(20)7-6-8-15-9-12(19)16-14-10(2)17-18(4)11(14)3/h15H,5-9H2,1-4H3,(H,16,19)
InChIKeyFFHGJTOBOGGKBG-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.91
Rot. Bonds8

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

ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate (PubChem CID 60671988) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate
PubChem CID60671988
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C14H24N4O3/c1-5-21-13(20)7-6-8-15-9-12(19)16-14-10(2)17-18(4)11(14)3/h15H,5-9H2,1-4H3,(H,16,19)
InChIKeyFFHGJTOBOGGKBG-UHFFFAOYSA-N
XLogP0.91
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
ethyl 4-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]butanoate
CID 60687680
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
ethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]butanoate
CID 60648237
ethyl 4-[[N-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]butanoate
CID 111951431
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
ethyl 4-[(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)amino]butanoate
CID 64575628
ethyl 4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]butanoate
CID 60648232
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate (CID 60671988) is ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate is CCOC(=O)CCCNCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate?
The InChIKey is FFHGJTOBOGGKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-21-13(20)7-6-8-15-9-12(19)16-14-10(2)17-18(4)11(14)3/h15H,5-9H2,1-4H3,(H,16,19).
What are the key properties of ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate?
ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate has a molecular weight of 296.37 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate is sourced from PubChem (CID 60671988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).