ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate

C9H14N4O3 — CID 54549709

IUPACethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1cc(N)n(C)n1
InChIInChI=1S/C9H14N4O3/c1-4-16-9(14)8(12-15-3)6-5-7(10)13(2)11-6/h5H,4,10H2,1-3H3
InChIKeyZJBAWIOMXLTLHM-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.08
Rot. Bonds4

About ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate

ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate (PubChem CID 54549709) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate
PubChem CID54549709
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1cc(N)n(C)n1
InChIInChI=1S/C9H14N4O3/c1-4-16-9(14)8(12-15-3)6-5-7(10)13(2)11-6/h5H,4,10H2,1-3H3
InChIKeyZJBAWIOMXLTLHM-UHFFFAOYSA-N
XLogP-0.08
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate (CID 54549709) is ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1cc(N)n(C)n1.
What is the InChIKey of ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate?
The InChIKey is ZJBAWIOMXLTLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-4-16-9(14)8(12-15-3)6-5-7(10)13(2)11-6/h5H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate?
ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate has a molecular weight of 226.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1-methylpyrazol-3-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 54549709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).