2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid

C9H13N3O4 — CID 66121113

IUPAC2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
SMILESCCc1cc(C(=O)NOCC(=O)O)n(C)n1
InChIInChI=1S/C9H13N3O4/c1-3-6-4-7(12(2)10-6)9(15)11-16-5-8(13)14/h4H,3,5H2,1-2H3,(H,11,15)(H,13,14)
InChIKeySMMZMYNMYUHAEY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid

2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid (PubChem CID 66121113) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
PubChem CID66121113
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
SMILESCCc1cc(C(=O)NOCC(=O)O)n(C)n1
InChIInChI=1S/C9H13N3O4/c1-3-6-4-7(12(2)10-6)9(15)11-16-5-8(13)14/h4H,3,5H2,1-2H3,(H,11,15)(H,13,14)
InChIKeySMMZMYNMYUHAEY-UHFFFAOYSA-N
XLogP-0.27
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylpyrazole-3-carbonyl)amino]oxyacetic acid
CID 66129033
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
3-ethyl-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 66122312
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid (CID 66121113) is 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid is CCc1cc(C(=O)NOCC(=O)O)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid?
The InChIKey is SMMZMYNMYUHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-3-6-4-7(12(2)10-6)9(15)11-16-5-8(13)14/h4H,3,5H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid?
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 66121113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).