2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide

C13H13N5O6 — CID 19516200

IUPAC2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCOc1nn(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O6/c1-8-3-4-9(10(5-8)17(20)21)14-12(19)7-16-6-11(18(22)23)13(15-16)24-2/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyVOAIFONMDQDQDX-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.66
Rot. Bonds6

About 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide

2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 19516200) has the molecular formula C13H13N5O6 and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID19516200
Molecular FormulaC13H13N5O6
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCOc1nn(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O6/c1-8-3-4-9(10(5-8)17(20)21)14-12(19)7-16-6-11(18(22)23)13(15-16)24-2/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyVOAIFONMDQDQDX-UHFFFAOYSA-N
XLogP1.66
TPSA142.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
1-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502099
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516282
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522251
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516294
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide (CID 19516200) is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide is COc1nn(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is VOAIFONMDQDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O6/c1-8-3-4-9(10(5-8)17(20)21)14-12(19)7-16-6-11(18(22)23)13(15-16)24-2/h3-6H,7H2,1-2H3,(H,14,19).
What are the key properties of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 335.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 19516200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).