ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate

C10H15N3O3 — CID 80689128

IUPACethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-3-16-10(15)9(14)11-5-4-8-6-12-13(2)7-8/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyCZAZZXBLNYWFIH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.36
Rot. Bonds4

About ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate

ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate (PubChem CID 80689128) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
PubChem CID80689128
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-3-16-10(15)9(14)11-5-4-8-6-12-13(2)7-8/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyCZAZZXBLNYWFIH-UHFFFAOYSA-N
XLogP-0.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.36
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

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]pentanoate
CID 83040611
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
ethyl (E)-4-[2-(1-methylpyrazol-4-yl)ethylamino]but-2-enoate
CID 80689070
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate (CID 80689128) is ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1cnn(C)c1.
What is the InChIKey of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate?
The InChIKey is CZAZZXBLNYWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-10(15)9(14)11-5-4-8-6-12-13(2)7-8/h6-7H,3-5H2,1-2H3,(H,11,14).
What are the key properties of ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate?
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate has a molecular weight of 225.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 80689128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).