tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate

C17H23N3O4 — CID 129057182

IUPACtert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate
SMILESCC(C)C1(N(O)C(=O)OC(C)(C)C)C(=O)NN=C1c1ccccc1
InChIInChI=1S/C17H23N3O4/c1-11(2)17(20(23)15(22)24-16(3,4)5)13(18-19-14(17)21)12-9-7-6-8-10-12/h6-11,23H,1-5H3,(H,19,21)
InChIKeyAMLDYJKDABVDCZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate

tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate (PubChem CID 129057182) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate
PubChem CID129057182
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate
SMILESCC(C)C1(N(O)C(=O)OC(C)(C)C)C(=O)NN=C1c1ccccc1
InChIInChI=1S/C17H23N3O4/c1-11(2)17(20(23)15(22)24-16(3,4)5)13(18-19-14(17)21)12-9-7-6-8-10-12/h6-11,23H,1-5H3,(H,19,21)
InChIKeyAMLDYJKDABVDCZ-UHFFFAOYSA-N
XLogP2.54
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11682805
tert-butyl N-hydroxy-N-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]carbamate
CID 118541132
tert-butyl [(1,4-dimethyl-5-oxo-3-phenylpyrazol-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 118542242
2-[3-[4-(dimethylsulfamoyl)phenyl]-4-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-5-oxopyrazol-1-yl]acetic acid
CID 129057153
tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
CID 25150738
tert-butyl N-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]-N-propan-2-ylcarbamate
CID 162020416
methyl 2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylanilino]propanoate
CID 141179475
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
tert-butyl N-hydroxy-N-[4-(N-methoxy-C-methylcarbonimidoyl)-3-methyl-5-oxo-1-phenylpyrazol-4-yl]carbamate
CID 140883259
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
(2S)-2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-2-(4-propan-2-ylphenyl)anilino]propanoic acid
CID 141179478
tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 67214930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate (CID 129057182) is tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate is CC(C)C1(N(O)C(=O)OC(C)(C)C)C(=O)NN=C1c1ccccc1.
What is the InChIKey of tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate?
The InChIKey is AMLDYJKDABVDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11(2)17(20(23)15(22)24-16(3,4)5)13(18-19-14(17)21)12-9-7-6-8-10-12/h6-11,23H,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate?
tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate has a molecular weight of 333.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 129057182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).