N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C24H21N5O4 — CID 43032827

IUPACN-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(C)c(-c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])n(-c3ccccc3)n2)c1
InChIInChI=1S/C24H21N5O4/c1-16-10-11-17(2)19(13-16)20-14-22(28(27-20)18-7-4-3-5-8-18)26-23(30)15-33-21-9-6-12-25-24(21)29(31)32/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyGDDVRJUXVRQYOC-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.48
Rot. Bonds7

About N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 43032827) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID43032827
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(C)c(-c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])n(-c3ccccc3)n2)c1
InChIInChI=1S/C24H21N5O4/c1-16-10-11-17(2)19(13-16)20-14-22(28(27-20)18-7-4-3-5-8-18)26-23(30)15-33-21-9-6-12-25-24(21)29(31)32/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyGDDVRJUXVRQYOC-UHFFFAOYSA-N
XLogP4.48
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-2-(2-nitrophenoxy)acetamide
CID 112833460
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-nitrophenoxy)acetamide
CID 41459403
N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 30033030
2-(4-methoxyphenoxy)-N-[3-(3-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 50802659
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641122
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
CID 7890368
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 16797171
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 43032827) is N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(C)c(-c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])n(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is GDDVRJUXVRQYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-16-10-11-17(2)19(13-16)20-14-22(28(27-20)18-7-4-3-5-8-18)26-23(30)15-33-21-9-6-12-25-24(21)29(31)32/h3-14H,15H2,1-2H3,(H,26,30).
What are the key properties of N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 443.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-5-yl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 43032827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).