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

C11H9FN4O3 — CID 61053649

IUPAC2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H9FN4O3/c12-10-2-1-8(16(18)19)3-9(10)11(17)13-4-7-5-14-15-6-7/h1-3,5-6H,4H2,(H,13,17)(H,14,15)
InChIKeyYHKHQTHJROGDHN-UHFFFAOYSA-N
MW264.22 g/mol
LogP1.39
Rot. Bonds4

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

2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 61053649) has the molecular formula C11H9FN4O3 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID61053649
Molecular FormulaC11H9FN4O3
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Name2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H9FN4O3/c12-10-2-1-8(16(18)19)3-9(10)11(17)13-4-7-5-14-15-6-7/h1-3,5-6H,4H2,(H,13,17)(H,14,15)
InChIKeyYHKHQTHJROGDHN-UHFFFAOYSA-N
XLogP1.39
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 51.39
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

2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-amino-3-chloro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107200381
2-fluoro-N-[(4-methylsulfanylphenyl)methyl]-5-nitrobenzamide
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2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
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2-fluoro-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
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2-fluoro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64529688
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 60902986

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 61053649) is 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is YHKHQTHJROGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3/c12-10-2-1-8(16(18)19)3-9(10)11(17)13-4-7-5-14-15-6-7/h1-3,5-6H,4H2,(H,13,17)(H,14,15).
What are the key properties of 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide?
2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 264.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 61053649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).