3-phenyl-1,5-dihydropyrazol-4-one

C9H8N2O — CID 141056418

IUPAC3-phenyl-1,5-dihydropyrazol-4-one
SMILESO=C1CNN=C1c1ccccc1
InChIInChI=1S/C9H8N2O/c12-8-6-10-11-9(8)7-4-2-1-3-5-7/h1-5,10H,6H2
InChIKeyHRTDXRIUGKXMLV-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.56
Rot. Bonds1

About 3-phenyl-1,5-dihydropyrazol-4-one

3-phenyl-1,5-dihydropyrazol-4-one (PubChem CID 141056418) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-phenyl-1,5-dihydropyrazol-4-one.

Molecular Properties

Compound Name3-phenyl-1,5-dihydropyrazol-4-one
PubChem CID141056418
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-phenyl-1,5-dihydropyrazol-4-one
SMILESO=C1CNN=C1c1ccccc1
InChIInChI=1S/C9H8N2O/c12-8-6-10-11-9(8)7-4-2-1-3-5-7/h1-5,10H,6H2
InChIKeyHRTDXRIUGKXMLV-UHFFFAOYSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,5-dihydropyrazol-4-one?
The IUPAC name of 3-phenyl-1,5-dihydropyrazol-4-one (CID 141056418) is 3-phenyl-1,5-dihydropyrazol-4-one.
What is the SMILES notation for 3-phenyl-1,5-dihydropyrazol-4-one?
The canonical SMILES for 3-phenyl-1,5-dihydropyrazol-4-one is O=C1CNN=C1c1ccccc1.
What is the InChIKey of 3-phenyl-1,5-dihydropyrazol-4-one?
The InChIKey is HRTDXRIUGKXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-8-6-10-11-9(8)7-4-2-1-3-5-7/h1-5,10H,6H2.
What are the key properties of 3-phenyl-1,5-dihydropyrazol-4-one?
3-phenyl-1,5-dihydropyrazol-4-one has a molecular weight of 160.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,5-dihydropyrazol-4-one is sourced from PubChem (CID 141056418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).