N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide

C17H22N4O3 — CID 127039576

IUPACN-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCn1cc(-c2ccc(C(NC(=O)C(C)(C)C)C(=O)NO)cc2)cn1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)
InChIKeyXIZQLYZWBXQWFR-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 127039576) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID127039576
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCn1cc(-c2ccc(C(NC(=O)C(C)(C)C)C(=O)NO)cc2)cn1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)
InChIKeyXIZQLYZWBXQWFR-UHFFFAOYSA-N
XLogP1.80
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
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

N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
tert-butyl N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]carbamate
CID 118723772
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
CID 118723778
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione
CID 44191530
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-hydroxy-7-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]heptanamide
CID 72195459
N-hydroxy-6-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]hexanamide
CID 72195460
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]pyrazol-4-yl]pentanamide
CID 118714367

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 127039576) is N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide is Cn1cc(-c2ccc(C(NC(=O)C(C)(C)C)C(=O)NO)cc2)cn1.
What is the InChIKey of N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is XIZQLYZWBXQWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 330.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127039576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).