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

C9H8N2O — CID 10487173

IUPAC4-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1-c1ccccc1
InChIInChI=1S/C9H8N2O/c12-9-8(6-10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKeyUMXPWADOHPVTDD-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.37
Rot. Bonds1

About 4-phenyl-1,2-dihydropyrazol-3-one

4-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 10487173) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-phenyl-1,2-dihydropyrazol-3-one
PubChem CID10487173
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]cc1-c1ccccc1
InChIInChI=1S/C9H8N2O/c12-9-8(6-10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKeyUMXPWADOHPVTDD-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 4-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-phenyl-1,2-dihydropyrazol-3-one (CID 10487173) is 4-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-phenyl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]cc1-c1ccccc1.
What is the InChIKey of 4-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is UMXPWADOHPVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-8(6-10-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12).
What are the key properties of 4-phenyl-1,2-dihydropyrazol-3-one?
4-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 4-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 10487173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).