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

C10H6F2N4O3 — CID 115750799

IUPAC2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H6F2N4O3/c11-7-2-9(16(18)19)8(12)1-6(7)10(17)15-5-3-13-14-4-5/h1-4H,(H,13,14)(H,15,17)
InChIKeyTUQFARYEOYZBBL-UHFFFAOYSA-N
MW268.18 g/mol
LogP1.85
Rot. Bonds3

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

2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 115750799) has the molecular formula C10H6F2N4O3 and a molecular weight of 268.18 g/mol. Its IUPAC name is 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID115750799
Molecular FormulaC10H6F2N4O3
Molecular Weight268.18 g/mol
Exact Mass268.04
IUPAC Name2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C10H6F2N4O3/c11-7-2-9(16(18)19)8(12)1-6(7)10(17)15-5-3-13-14-4-5/h1-4H,(H,13,14)(H,15,17)
InChIKeyTUQFARYEOYZBBL-UHFFFAOYSA-N
XLogP1.85
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 51.85
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-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2,5-difluoro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856245
2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115602226
2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
CID 104699302

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide (CID 115750799) is 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is TUQFARYEOYZBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4O3/c11-7-2-9(16(18)19)8(12)1-6(7)10(17)15-5-3-13-14-4-5/h1-4H,(H,13,14)(H,15,17).
What are the key properties of 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 268.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-nitro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 115750799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).