2-(5-oxo-1H-pyrazol-2-yl)acetic acid

C5H6N2O3 — CID 131016269

IUPAC2-(5-oxo-1H-pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)[nH]1
InChIInChI=1S/C5H6N2O3/c8-4-1-2-7(6-4)3-5(9)10/h1-2H,3H2,(H,6,8)(H,9,10)
InChIKeyIVDXAIGXRJTJOY-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.74
Rot. Bonds2

About 2-(5-oxo-1H-pyrazol-2-yl)acetic acid

2-(5-oxo-1H-pyrazol-2-yl)acetic acid (PubChem CID 131016269) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-(5-oxo-1H-pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-1H-pyrazol-2-yl)acetic acid
PubChem CID131016269
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-(5-oxo-1H-pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)[nH]1
InChIInChI=1S/C5H6N2O3/c8-4-1-2-7(6-4)3-5(9)10/h1-2H,3H2,(H,6,8)(H,9,10)
InChIKeyIVDXAIGXRJTJOY-UHFFFAOYSA-N
XLogP-0.74
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1H-pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(5-oxo-1H-pyrazol-2-yl)acetic acid (CID 131016269) is 2-(5-oxo-1H-pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-1H-pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-1H-pyrazol-2-yl)acetic acid is O=C(O)Cn1ccc(=O)[nH]1.
What is the InChIKey of 2-(5-oxo-1H-pyrazol-2-yl)acetic acid?
The InChIKey is IVDXAIGXRJTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-4-1-2-7(6-4)3-5(9)10/h1-2H,3H2,(H,6,8)(H,9,10).
What are the key properties of 2-(5-oxo-1H-pyrazol-2-yl)acetic acid?
2-(5-oxo-1H-pyrazol-2-yl)acetic acid has a molecular weight of 142.11 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1H-pyrazol-2-yl)acetic acid is sourced from PubChem (CID 131016269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).