4-nitroso-2,5-diphenyl-1H-pyrazol-3-one

C15H11N3O2 — CID 3450311

IUPAC4-nitroso-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=Nc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C15H11N3O2/c19-15-14(17-20)13(11-7-3-1-4-8-11)16-18(15)12-9-5-2-6-10-12/h1-10,16H
InChIKeyADKMKHLPHXUNRA-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.23
Rot. Bonds3

About 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one

4-nitroso-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 3450311) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-nitroso-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID3450311
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-nitroso-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=Nc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C15H11N3O2/c19-15-14(17-20)13(11-7-3-1-4-8-11)16-18(15)12-9-5-2-6-10-12/h1-10,16H
InChIKeyADKMKHLPHXUNRA-UHFFFAOYSA-N
XLogP3.23
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
5-Methyl-2-phenyl-2H-pyrazole-3,4-dione 4-oxime
CID 608928
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-4-(phenylazo)-
CID 624132
(4Z)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 626055
1-Methyl-2,5-diphenyl-1,2-dihydro-3h-pyrazol-3-one
CID 245744
1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-ol
CID 703751
(4Z)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 703794
(4E)-5-methyl-4-[(2-methylphenyl)hydrazinylidene]-2-phenylpyrazol-3-one
CID 786618
3-amino-1-phenyl-1H-pyrazole-4,5-dione 4-({4-nitro-2-methylphenyl}hydrazone)
CID 4047796
4-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzonitrile
CID 708168
4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione
CID 834001
11E-408S
CID 678578

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one (CID 3450311) is 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one is O=Nc1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is ADKMKHLPHXUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15-14(17-20)13(11-7-3-1-4-8-11)16-18(15)12-9-5-2-6-10-12/h1-10,16H.
What are the key properties of 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one?
4-nitroso-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 265.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).