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

C9H8N2O — CID 2748710

IUPAC2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1ccccc1
InChIInChI=1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyILPGQKHPPSSCBS-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.17
Rot. Bonds1

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

2-phenyl-1H-pyrazol-3-one (PubChem CID 2748710) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-1H-pyrazol-3-one
PubChem CID2748710
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1ccccc1
InChIInChI=1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyILPGQKHPPSSCBS-UHFFFAOYSA-N
XLogP1.17
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-phenyl-1H-pyrazol-3-one (CID 2748710) is 2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-phenyl-1H-pyrazol-3-one is O=c1cc[nH]n1-c1ccccc1.
What is the InChIKey of 2-phenyl-1H-pyrazol-3-one?
The InChIKey is ILPGQKHPPSSCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-7,10H.
What are the key properties of 2-phenyl-1H-pyrazol-3-one?
2-phenyl-1H-pyrazol-3-one has a molecular weight of 160.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 2748710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).