N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide

C14H16N4O3 — CID 118723776

IUPACN-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCCC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)
InChIKeyZZJQASGOLBFQNU-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.94
Rot. Bonds5

About N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide

N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 118723776) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
PubChem CID118723776
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
SMILESCCC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)
InChIKeyZZJQASGOLBFQNU-UHFFFAOYSA-N
XLogP0.94
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.94
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

3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46469513
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46474166
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155564712
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 112823910
2-(1-hydroxycyclopentyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 111540891
methyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171896348

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide (CID 118723776) is N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide is CCC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is ZZJQASGOLBFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide?
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 288.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 118723776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).