2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide

C12H12N4O4 — CID 63818883

IUPAC2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-12(17)9-6-8(16(18)19)3-4-10(9)20-2/h3-6H,1-2H3,(H2,13,14,15,17)
InChIKeyPPMMSBWNNUGXFN-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.89
Rot. Bonds4

About 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide

2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide (PubChem CID 63818883) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
PubChem CID63818883
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-12(17)9-6-8(16(18)19)3-4-10(9)20-2/h3-6H,1-2H3,(H2,13,14,15,17)
InChIKeyPPMMSBWNNUGXFN-UHFFFAOYSA-N
XLogP1.89
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.89
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

N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
CID 104783753
2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-methoxy-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716205
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370129
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 47429652
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 112795463
3-[(2-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528072
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide (CID 63818883) is 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
The InChIKey is PPMMSBWNNUGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-5-11(15-14-7)13-12(17)9-6-8(16(18)19)3-4-10(9)20-2/h3-6H,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide?
2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide has a molecular weight of 276.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide is sourced from PubChem (CID 63818883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).