5-naphthalen-1-yl-1,2-dihydropyrazol-3-one

C13H10N2O — CID 610864

IUPAC5-naphthalen-1-yl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2cccc3ccccc23)[nH][nH]1
InChIInChI=1S/C13H10N2O/c16-13-8-12(14-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15,16)
InChIKeyIJLXVKPGJDODPJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.52
Rot. Bonds1

About 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one

5-naphthalen-1-yl-1,2-dihydropyrazol-3-one (PubChem CID 610864) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-naphthalen-1-yl-1,2-dihydropyrazol-3-one
PubChem CID610864
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-naphthalen-1-yl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2cccc3ccccc23)[nH][nH]1
InChIInChI=1S/C13H10N2O/c16-13-8-12(14-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15,16)
InChIKeyIJLXVKPGJDODPJ-UHFFFAOYSA-N
XLogP2.52
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one (CID 610864) is 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one is O=c1cc(-c2cccc3ccccc23)[nH][nH]1.
What is the InChIKey of 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
The InChIKey is IJLXVKPGJDODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-8-12(14-15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15,16).
What are the key properties of 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one?
5-naphthalen-1-yl-1,2-dihydropyrazol-3-one has a molecular weight of 210.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).