acetamido 2-(1H-pyrazol-5-ylamino)acetate

C7H10N4O3 — CID 54266303

IUPACacetamido 2-(1H-pyrazol-5-ylamino)acetate
SMILESCC(=O)NOC(=O)CNc1ccn[nH]1
InChIInChI=1S/C7H10N4O3/c1-5(12)11-14-7(13)4-8-6-2-3-9-10-6/h2-3H,4H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyRGZPYNQJMNCFOR-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.58
Rot. Bonds3

About acetamido 2-(1H-pyrazol-5-ylamino)acetate

acetamido 2-(1H-pyrazol-5-ylamino)acetate (PubChem CID 54266303) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is acetamido 2-(1H-pyrazol-5-ylamino)acetate.

Molecular Properties

Compound Nameacetamido 2-(1H-pyrazol-5-ylamino)acetate
PubChem CID54266303
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Nameacetamido 2-(1H-pyrazol-5-ylamino)acetate
SMILESCC(=O)NOC(=O)CNc1ccn[nH]1
InChIInChI=1S/C7H10N4O3/c1-5(12)11-14-7(13)4-8-6-2-3-9-10-6/h2-3H,4H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyRGZPYNQJMNCFOR-UHFFFAOYSA-N
XLogP-0.58
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamido 2-(1H-pyrazol-5-ylamino)acetate?
The IUPAC name of acetamido 2-(1H-pyrazol-5-ylamino)acetate (CID 54266303) is acetamido 2-(1H-pyrazol-5-ylamino)acetate.
What is the SMILES notation for acetamido 2-(1H-pyrazol-5-ylamino)acetate?
The canonical SMILES for acetamido 2-(1H-pyrazol-5-ylamino)acetate is CC(=O)NOC(=O)CNc1ccn[nH]1.
What is the InChIKey of acetamido 2-(1H-pyrazol-5-ylamino)acetate?
The InChIKey is RGZPYNQJMNCFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-5(12)11-14-7(13)4-8-6-2-3-9-10-6/h2-3H,4H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of acetamido 2-(1H-pyrazol-5-ylamino)acetate?
acetamido 2-(1H-pyrazol-5-ylamino)acetate has a molecular weight of 198.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido 2-(1H-pyrazol-5-ylamino)acetate is sourced from PubChem (CID 54266303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).