acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine

C11H20N4O7 — CID 90910356

IUPACacetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine
SMILESCC(=O)Nc1cc(C)nn1C.CC(=O)OC(C)=O.ONOO
InChIInChI=1S/C7H11N3O.C4H6O3.H3NO3/c1-5-4-7(8-6(2)11)10(3)9-5;1-3(5)7-4(2)6;2-1-4-3/h4H,1-3H3,(H,8,11);1-2H3;1-3H
InChIKeyMKLNPMSAAAXFQZ-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.15
Rot. Bonds2

About acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine

acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine (PubChem CID 90910356) has the molecular formula C11H20N4O7 and a molecular weight of 320.30 g/mol. Its IUPAC name is acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine.

Molecular Properties

Compound Nameacetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine
PubChem CID90910356
Molecular FormulaC11H20N4O7
Molecular Weight320.30 g/mol
Exact Mass320.13
IUPAC Nameacetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine
SMILESCC(=O)Nc1cc(C)nn1C.CC(=O)OC(C)=O.ONOO
InChIInChI=1S/C7H11N3O.C4H6O3.H3NO3/c1-5-4-7(8-6(2)11)10(3)9-5;1-3(5)7-4(2)6;2-1-4-3/h4H,1-3H3,(H,8,11);1-2H3;1-3H
InChIKeyMKLNPMSAAAXFQZ-UHFFFAOYSA-N
XLogP0.15
TPSA152.01 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine
CID 20703482
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine?
The IUPAC name of acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine (CID 90910356) is acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine.
What is the SMILES notation for acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine?
The canonical SMILES for acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine is CC(=O)Nc1cc(C)nn1C.CC(=O)OC(C)=O.ONOO.
What is the InChIKey of acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine?
The InChIKey is MKLNPMSAAAXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C4H6O3.H3NO3/c1-5-4-7(8-6(2)11)10(3)9-5;1-3(5)7-4(2)6;2-1-4-3/h4H,1-3H3,(H,8,11);1-2H3;1-3H.
What are the key properties of acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine?
acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine has a molecular weight of 320.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;N-(2,5-dimethylpyrazol-3-yl)acetamide;N-hydroperoxyhydroxylamine is sourced from PubChem (CID 90910356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).