4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one

C11H13N3O2 — CID 118537970

IUPAC4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one
SMILESCC1=NN(C)C(=O)C1(NO)c1ccccc1
InChIInChI=1S/C11H13N3O2/c1-8-11(13-16,10(15)14(2)12-8)9-6-4-3-5-7-9/h3-7,13,16H,1-2H3
InChIKeyQQRNZZDOMYCNDL-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.71
Rot. Bonds2

About 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one

4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one (PubChem CID 118537970) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one
PubChem CID118537970
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one
SMILESCC1=NN(C)C(=O)C1(NO)c1ccccc1
InChIInChI=1S/C11H13N3O2/c1-8-11(13-16,10(15)14(2)12-8)9-6-4-3-5-7-9/h3-7,13,16H,1-2H3
InChIKeyQQRNZZDOMYCNDL-UHFFFAOYSA-N
XLogP0.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxyamino)-5-methyl-4-phenyl-2-propan-2-ylpyrazol-3-one
CID 118541987
diethyl (E)-2-[(1,3-dimethyl-5-oxo-4-phenylpyrazol-4-yl)amino]but-2-enedioate
CID 46899691
4-(hydroxyamino)-2,4-dimethyl-5-phenylpyrazol-3-one
CID 118541979
4-bromo-2,5-dimethyl-4-(C-methyl-N-phenoxycarbonimidoyl)pyrazol-3-one
CID 118538397
4-bromo-2-methyl-4,5-diphenylpyrazol-3-one
CID 118538432
(5S)-5-methyl-3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 2528049
5-tert-butyl-4-(hydroxyamino)-2-methyl-4-[(E)-C-methyl-N-phenoxycarbonimidoyl]pyrazol-3-one
CID 140791558
1,3-dimethyl-5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione
CID 71388254
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054
(5R)-3-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2527796
4-bromo-4-(4-chlorophenyl)-2,5-dimethylpyrazol-3-one
CID 118538462

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one?
The IUPAC name of 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one (CID 118537970) is 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one.
What is the SMILES notation for 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one?
The canonical SMILES for 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one is CC1=NN(C)C(=O)C1(NO)c1ccccc1.
What is the InChIKey of 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one?
The InChIKey is QQRNZZDOMYCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-11(13-16,10(15)14(2)12-8)9-6-4-3-5-7-9/h3-7,13,16H,1-2H3.
What are the key properties of 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one?
4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one has a molecular weight of 219.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-2,5-dimethyl-4-phenylpyrazol-3-one is sourced from PubChem (CID 118537970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).