ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate

C9H13N3O3 — CID 60893384

IUPACethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C9H13N3O3/c1-3-12-6-7(5-10-12)11-8(13)9(14)15-4-2/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyYTXLQSDXLAYUOL-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.40
Rot. Bonds3

About ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate

ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate (PubChem CID 60893384) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
PubChem CID60893384
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C9H13N3O3/c1-3-12-6-7(5-10-12)11-8(13)9(14)15-4-2/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyYTXLQSDXLAYUOL-UHFFFAOYSA-N
XLogP0.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
(1-ethylpyrazol-4-yl)thiourea
CID 43543607
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate (CID 60893384) is ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cnn(CC)c1.
What is the InChIKey of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate?
The InChIKey is YTXLQSDXLAYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-12-6-7(5-10-12)11-8(13)9(14)15-4-2/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate?
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate has a molecular weight of 211.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate is sourced from PubChem (CID 60893384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).