3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide

C11H10N4O4 — CID 115602226

IUPAC3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cn[nH]c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c1-19-10-4-7(2-3-9(10)15(17)18)11(16)14-8-5-12-13-6-8/h2-6H,1H3,(H,12,13)(H,14,16)
InChIKeyGEYBWPLYPDYNDR-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.58
Rot. Bonds4

About 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide

3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 115602226) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
PubChem CID115602226
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cn[nH]c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c1-19-10-4-7(2-3-9(10)15(17)18)11(16)14-8-5-12-13-6-8/h2-6H,1H3,(H,12,13)(H,14,16)
InChIKeyGEYBWPLYPDYNDR-UHFFFAOYSA-N
XLogP1.58
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-chloro-3-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 43540234
N-(3-chloropyrazin-2-yl)-3-methoxy-4-nitrobenzamide
CID 102989249
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
5-(methylamino)-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 62168858
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
N-(6-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602234
N-cyano-3-methoxy-4-nitrobenzamide
CID 104783612
1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
[2-[(3-methoxy-4-nitrobenzoyl)amino]phenyl] 3-methoxy-4-nitrobenzoate
CID 22010896
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide (CID 115602226) is 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)Nc2cn[nH]c2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is GEYBWPLYPDYNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-19-10-4-7(2-3-9(10)15(17)18)11(16)14-8-5-12-13-6-8/h2-6H,1H3,(H,12,13)(H,14,16).
What are the key properties of 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide?
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 115602226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).