2-hydroxy-1-(1H-pyrazol-4-yl)ethanone

C5H6N2O2 — CID 123204885

IUPAC2-hydroxy-1-(1H-pyrazol-4-yl)ethanone
SMILESO=C(CO)c1cn[nH]c1
InChIInChI=1S/C5H6N2O2/c8-3-5(9)4-1-6-7-2-4/h1-2,8H,3H2,(H,6,7)
InChIKeyZRFRRHDEBNIJAL-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.42
Rot. Bonds2

About 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone

2-hydroxy-1-(1H-pyrazol-4-yl)ethanone (PubChem CID 123204885) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1H-pyrazol-4-yl)ethanone
PubChem CID123204885
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name2-hydroxy-1-(1H-pyrazol-4-yl)ethanone
SMILESO=C(CO)c1cn[nH]c1
InChIInChI=1S/C5H6N2O2/c8-3-5(9)4-1-6-7-2-4/h1-2,8H,3H2,(H,6,7)
InChIKeyZRFRRHDEBNIJAL-UHFFFAOYSA-N
XLogP-0.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone (CID 123204885) is 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone is O=C(CO)c1cn[nH]c1.
What is the InChIKey of 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone?
The InChIKey is ZRFRRHDEBNIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-3-5(9)4-1-6-7-2-4/h1-2,8H,3H2,(H,6,7).
What are the key properties of 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone?
2-hydroxy-1-(1H-pyrazol-4-yl)ethanone has a molecular weight of 126.11 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 123204885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).