5-phenyl-1,2-dihydropyrazol-3-one

C9H8N2O — CID 594763

IUPAC5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH][nH]1
InChIInChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKeyYLHCQNBWOZXHIR-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.37
Rot. Bonds1

About 5-phenyl-1,2-dihydropyrazol-3-one

5-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 594763) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-1,2-dihydropyrazol-3-one
PubChem CID594763
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccccc2)[nH][nH]1
InChIInChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKeyYLHCQNBWOZXHIR-UHFFFAOYSA-N
XLogP1.37
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-phenyl-1,2-dihydropyrazol-3-one (CID 594763) is 5-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-phenyl-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccccc2)[nH][nH]1.
What is the InChIKey of 5-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is YLHCQNBWOZXHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-6-8(10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12).
What are the key properties of 5-phenyl-1,2-dihydropyrazol-3-one?
5-phenyl-1,2-dihydropyrazol-3-one has a molecular weight of 160.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 594763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).