2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

C17H14N4O5 — CID 17341580

IUPAC2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C17H14N4O5/c22-16(11-26-14-8-6-13(7-9-14)21(24)25)18-15-10-17(23)20(19-15)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19,22)
InChIKeyVZRDGAQZCPSYJK-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.84
Rot. Bonds5

About 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (PubChem CID 17341580) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
PubChem CID17341580
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C17H14N4O5/c22-16(11-26-14-8-6-13(7-9-14)21(24)25)18-15-10-17(23)20(19-15)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19,22)
InChIKeyVZRDGAQZCPSYJK-UHFFFAOYSA-N
XLogP1.84
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341565
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
CID 739659
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide
CID 122145951
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (CID 17341580) is 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The InChIKey is VZRDGAQZCPSYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c22-16(11-26-14-8-6-13(7-9-14)21(24)25)18-15-10-17(23)20(19-15)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19,22).
What are the key properties of 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide has a molecular weight of 354.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 17341580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).