methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate

C7H9N3O3 — CID 112617047

IUPACmethyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccnn1C
InChIInChI=1S/C7H9N3O3/c1-10-5(3-4-8-10)9-6(11)7(12)13-2/h3-4H,1-2H3,(H,9,11)
InChIKeyLJQSAEKJRIBSOD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.47
Rot. Bonds1

About methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate

methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate (PubChem CID 112617047) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
PubChem CID112617047
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1ccnn1C
InChIInChI=1S/C7H9N3O3/c1-10-5(3-4-8-10)9-6(11)7(12)13-2/h3-4H,1-2H3,(H,9,11)
InChIKeyLJQSAEKJRIBSOD-UHFFFAOYSA-N
XLogP-0.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate (CID 112617047) is methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1ccnn1C.
What is the InChIKey of methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate?
The InChIKey is LJQSAEKJRIBSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10-5(3-4-8-10)9-6(11)7(12)13-2/h3-4H,1-2H3,(H,9,11).
What are the key properties of methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate?
methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate has a molecular weight of 183.17 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112617047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).