2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid

C5H5N3O3 — CID 43540349

IUPAC2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C5H5N3O3/c9-4(5(10)11)8-3-1-6-7-2-3/h1-2H,(H,6,7)(H,8,9)(H,10,11)
InChIKeyHHIAMPNYSBGPKP-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.57
Rot. Bonds1

About 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid

2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid (PubChem CID 43540349) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
PubChem CID43540349
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C5H5N3O3/c9-4(5(10)11)8-3-1-6-7-2-3/h1-2H,(H,6,7)(H,8,9)(H,10,11)
InChIKeyHHIAMPNYSBGPKP-UHFFFAOYSA-N
XLogP-0.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
CID 43430674
3-oxo-N-(1H-pyrazol-4-yl)butanamide
CID 43540271
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
2-cyclopropyl-N-(1H-pyrazol-4-yl)propanamide
CID 79506371
N-(1H-pyrazol-4-yl)but-2-ynamide;hydrochloride
CID 155820287
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid?
The IUPAC name of 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid (CID 43540349) is 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid is O=C(O)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid?
The InChIKey is HHIAMPNYSBGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c9-4(5(10)11)8-3-1-6-7-2-3/h1-2H,(H,6,7)(H,8,9)(H,10,11).
What are the key properties of 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid?
2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid has a molecular weight of 155.11 g/mol, XLogP of -0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid is sourced from PubChem (CID 43540349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).