2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide

C12H12N4O4 — CID 104620167

IUPAC2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C12H12N4O4/c1-7-6-13-15-11(7)14-12(17)10-8(16(18)19)4-3-5-9(10)20-2/h3-6H,1-2H3,(H2,13,14,15,17)
InChIKeyFARCVTYABQAJRO-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.89
Rot. Bonds4

About 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide

2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide (PubChem CID 104620167) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
PubChem CID104620167
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C12H12N4O4/c1-7-6-13-15-11(7)14-12(17)10-8(16(18)19)4-3-5-9(10)20-2/h3-6H,1-2H3,(H2,13,14,15,17)
InChIKeyFARCVTYABQAJRO-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

2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 81414361
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 112691335
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide
CID 104620300
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide?
The IUPAC name of 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide (CID 104620167) is 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide is COc1cccc([N+](=O)[O-])c1C(=O)Nc1[nH]ncc1C.
What is the InChIKey of 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide?
The InChIKey is FARCVTYABQAJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-6-13-15-11(7)14-12(17)10-8(16(18)19)4-3-5-9(10)20-2/h3-6H,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide?
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-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-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide is sourced from PubChem (CID 104620167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).