N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C18H24N4O3 — CID 127026518

IUPACN-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCn1cc(-c2ccc(CC(NC(=O)C(C)(C)C)C(=O)NO)cc2)cn1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)17(24)20-15(16(23)21-25)9-12-5-7-13(8-6-12)14-10-19-22(4)11-14/h5-8,10-11,15,25H,9H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyZMAXDWVGQLJLOA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.67
Rot. Bonds5

About N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 127026518) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID127026518
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCn1cc(-c2ccc(CC(NC(=O)C(C)(C)C)C(=O)NO)cc2)cn1
InChIInChI=1S/C18H24N4O3/c1-18(2,3)17(24)20-15(16(23)21-25)9-12-5-7-13(8-6-12)14-10-19-22(4)11-14/h5-8,10-11,15,25H,9H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyZMAXDWVGQLJLOA-UHFFFAOYSA-N
XLogP1.67
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.67
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

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
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
(1R,2R,3R)-N-hydroxy-2-(1-methylpyrazol-4-yl)-3-phenylcyclopropane-1-carboxamide
CID 60148646
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
N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714373
N-hydroxy-5-[1-[(4-phenylphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714377

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 127026518) is N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is Cn1cc(-c2ccc(CC(NC(=O)C(C)(C)C)C(=O)NO)cc2)cn1.
What is the InChIKey of N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ZMAXDWVGQLJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2,3)17(24)20-15(16(23)21-25)9-12-5-7-13(8-6-12)14-10-19-22(4)11-14/h5-8,10-11,15,25H,9H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 344.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 127026518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).