3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one

C13H10N2O2 — CID 168525548

IUPAC3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2cccc(-c3ccco3)c2)=NN1
InChIInChI=1S/C13H10N2O2/c16-13-8-11(14-15-13)9-3-1-4-10(7-9)12-5-2-6-17-12/h1-7H,8H2,(H,15,16)
InChIKeyKVKPJMIGOQUVAH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.17
Rot. Bonds2

About 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one

3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one (PubChem CID 168525548) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one
PubChem CID168525548
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2cccc(-c3ccco3)c2)=NN1
InChIInChI=1S/C13H10N2O2/c16-13-8-11(14-15-13)9-3-1-4-10(7-9)12-5-2-6-17-12/h1-7H,8H2,(H,15,16)
InChIKeyKVKPJMIGOQUVAH-UHFFFAOYSA-N
XLogP2.17
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 168526590
bis[3-(furan-2-yl)phenyl]diazene
CID 10519323
4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
CID 169370728
3-[3,5-bis(trifluoromethyl)phenyl]-1,4-dihydropyrazol-5-one
CID 114763706
6-(furan-2-yl)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
CID 168527165
5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 169402380
4-bromo-3-[3-(furan-2-yl)phenyl]-1-methylpyrazole
CID 168528396
6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168528419
3-(furan-2-yl)benzoate
CID 7023055
1-[3-(furan-2-yl)phenyl]-6,6-dimethylheptan-3-one
CID 58452026
2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393411
2-phenylfuran;piperazine
CID 68614405

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one (CID 168525548) is 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one is O=C1CC(c2cccc(-c3ccco3)c2)=NN1.
What is the InChIKey of 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one?
The InChIKey is KVKPJMIGOQUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-8-11(14-15-13)9-3-1-4-10(7-9)12-5-2-6-17-12/h1-7H,8H2,(H,15,16).
What are the key properties of 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one?
3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one has a molecular weight of 226.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)phenyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 168525548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).