5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide

C10H7FN4O3 — CID 60877332

IUPAC5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7FN4O3/c11-6-1-2-9(15(17)18)8(3-6)10(16)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,16)
InChIKeyZDRSZKJVFYZVGU-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.71
Rot. Bonds3

About 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide

5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 60877332) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID60877332
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC Name5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7FN4O3/c11-6-1-2-9(15(17)18)8(3-6)10(16)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,16)
InChIKeyZDRSZKJVFYZVGU-UHFFFAOYSA-N
XLogP1.71
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115750799
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61260209
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115602226
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide (CID 60877332) is 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ZDRSZKJVFYZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c11-6-1-2-9(15(17)18)8(3-6)10(16)14-7-4-12-13-5-7/h1-5H,(H,12,13)(H,14,16).
What are the key properties of 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide?
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 250.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 60877332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).