N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide

C14H16N4O4 — CID 47058598

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)n(C)n1
InChIInChI=1S/C14H16N4O4/c1-9-7-13(17(3)16-9)15-14(19)8-22-12-6-4-5-11(10(12)2)18(20)21/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyQIOWYLXBGYKYHX-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.96
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide (PubChem CID 47058598) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
PubChem CID47058598
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)n(C)n1
InChIInChI=1S/C14H16N4O4/c1-9-7-13(17(3)16-9)15-14(19)8-22-12-6-4-5-11(10(12)2)18(20)21/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyQIOWYLXBGYKYHX-UHFFFAOYSA-N
XLogP1.96
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 55867965
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-nitrophenoxy)acetamide
CID 17416315
2-(2-methyl-3-nitrophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60518424
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methyl-3-nitrophenoxy)acetamide
CID 60518206
N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide
CID 24567269
2-(2-methyl-3-nitrophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 60518149
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7795046
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-nitrophenoxy)acetamide
CID 41459403
2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7701837
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide (CID 47058598) is N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide is Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide?
The InChIKey is QIOWYLXBGYKYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9-7-13(17(3)16-9)15-14(19)8-22-12-6-4-5-11(10(12)2)18(20)21/h4-7H,8H2,1-3H3,(H,15,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide has a molecular weight of 304.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-3-nitrophenoxy)acetamide is sourced from PubChem (CID 47058598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).