3-hydroxy-2-phenyl-1H-pyrazol-5-one

C9H8N2O2 — CID 778692

IUPAC3-hydroxy-2-phenyl-1H-pyrazol-5-one
SMILESO=c1cc(O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2O2/c12-8-6-9(13)11(10-8)7-4-2-1-3-5-7/h1-6,13H,(H,10,12)
InChIKeyTUUGFLAHJMHZFV-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.87
Rot. Bonds1

About 3-hydroxy-2-phenyl-1H-pyrazol-5-one

3-hydroxy-2-phenyl-1H-pyrazol-5-one (PubChem CID 778692) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-1H-pyrazol-5-one
PubChem CID778692
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-hydroxy-2-phenyl-1H-pyrazol-5-one
SMILESO=c1cc(O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2O2/c12-8-6-9(13)11(10-8)7-4-2-1-3-5-7/h1-6,13H,(H,10,12)
InChIKeyTUUGFLAHJMHZFV-UHFFFAOYSA-N
XLogP0.87
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-hydroxy-2-phenyl-1H-pyrazol-5-one (CID 778692) is 3-hydroxy-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-hydroxy-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-hydroxy-2-phenyl-1H-pyrazol-5-one is O=c1cc(O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 3-hydroxy-2-phenyl-1H-pyrazol-5-one?
The InChIKey is TUUGFLAHJMHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8-6-9(13)11(10-8)7-4-2-1-3-5-7/h1-6,13H,(H,10,12).
What are the key properties of 3-hydroxy-2-phenyl-1H-pyrazol-5-one?
3-hydroxy-2-phenyl-1H-pyrazol-5-one has a molecular weight of 176.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).